Cas no 1379827-43-6 ((3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid)

(3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid structure
1379827-43-6 structure
Product Name:(3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid
CAS No:1379827-43-6
MF:C12H23NO4
MW:245.315324068069
CID:5704763
PubChem ID:103694204
Update Time:2025-09-21

(3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • EN300-1286504
    • 1379827-43-6
    • (3S)-3-([(TERT-BUTOXY)CARBONYL]AMINO)-4-METHYLHEXANOIC ACID
    • (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
    • (3S)-3-([(TERT-BUTOXY)CARBONYL]AMINO)-4-METHYLHEXANOICACID
    • Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (3S)-
    • (3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid
    • Inchi： 1S/C12H23NO4/c1-6-8(2)9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t8?,9-/m0/s1
    • InChI Key： CMRZYYUYDQRCEO-GKAPJAKFSA-N
    • SMILES： O(C(N[C@@H](CC(=O)O)C(C)CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 245.16270821g/mol
  • Monoisotopic Mass: 245.16270821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Density: 1.046±0.06 g/cm3(Predicted)
  • Boiling Point: 374.3±25.0 °C(Predicted)
  • pka: 4.45±0.10(Predicted)

(3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1286504-1.0g
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
1g
 $0.0 2023-06-07
Enamine
EN300-1286504-50mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
50mg
 $528.0 2023-10-01
Enamine
EN300-1286504-100mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
100mg
 $553.0 2023-10-01
Enamine
EN300-1286504-250mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
250mg
 $579.0 2023-10-01
Enamine
EN300-1286504-500mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
500mg
 $603.0 2023-10-01
Enamine
EN300-1286504-1000mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
1000mg
 $628.0 2023-10-01
Enamine
EN300-1286504-2500mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
2500mg
 $1230.0 2023-10-01
Enamine
EN300-1286504-5000mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
5000mg
 $1821.0 2023-10-01
Enamine
EN300-1286504-10000mg
(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-methylhexanoic acid
 1379827-43-6
10000mg
 $2701.0 2023-10-01

(3S)-3-{(tert-butoxy)carbonylamino}-4-methylhexanoic acid Related Literature

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