Cas no 335247-33-1 (2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid)

2-{(tert-Butoxy)carbonylamino}-6-methylheptanoic acid is a protected amino acid derivative featuring a tert-butoxycarbonyl (Boc) group on the amino functionality and a branched alkyl side chain. This compound is particularly useful in peptide synthesis, where the Boc group serves as a temporary protecting group for amines, enabling selective deprotection under acidic conditions without affecting other sensitive functional groups. The methylheptanoic acid moiety contributes to enhanced lipophilicity, making it valuable in the design of modified peptides with improved membrane permeability. Its stability under basic conditions and compatibility with standard coupling reagents further underscore its utility in solid-phase and solution-phase peptide chemistry.

2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid structure

335247-33-1 structure

Product Name:2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid

CAS No:335247-33-1

MF:C₁₃H₂₅NO₄

MW:259.341904401779

CID:1465246

PubChem ID:53650046

Update Time:2025-10-16

2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid Chemical and Physical Properties

Names and Identifiers

- Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-
- 2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid
- 2-((tert-butoxycarbonyl)amino)-6-methylheptanoic acid
- EN300-1299417
- SCHEMBL1927174
- 2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid
- 335247-33-1
- AMAFOMIBEAFCPF-UHFFFAOYSA-N
- Inchi： 1S/C13H25NO4/c1-9(2)7-6-8-10(11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)
- InChI Key： AMAFOMIBEAFCPF-UHFFFAOYSA-N
- SMILES： O(C(NC(C(=O)O)CCCC(C)C)=O)C(C)(C)C

Computed Properties

Exact Mass: 259.17845
Monoisotopic Mass: 259.17835828g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 18
Rotatable Bond Count: 8
Complexity: 281
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.1
Topological Polar Surface Area: 75.6?2

Experimental Properties

PSA: 75.63

2-{(tert-butoxy)carbonylamino}-6-methylheptanoic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
Enamine	EN300-1299417-1.0g	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	1g	$0.0	2023-06-06
Enamine	EN300-1299417-50mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	50mg	$491.0	2023-09-30
Enamine	EN300-1299417-100mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	100mg	$515.0	2023-09-30
Enamine	EN300-1299417-250mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	250mg	$538.0	2023-09-30
Enamine	EN300-1299417-500mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	500mg	$561.0	2023-09-30
Enamine	EN300-1299417-1000mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	1000mg	$584.0	2023-09-30
Enamine	EN300-1299417-2500mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	2500mg	$1147.0	2023-09-30
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Enamine	EN300-1299417-10000mg	2-{[(tert-butoxy)carbonyl]amino}-6-methylheptanoic acid	335247-33-1	10000mg	$2516.0	2023-09-30