Cas no 1001390-55-1 (1-(1-methylethyl)-5-oxo-Proline)

1-(1-Methylethyl)-5-oxo-Proline is a modified proline derivative characterized by the presence of a 1-methylethyl (isopropyl) group and a 5-oxo (ketone) functional group. This structural modification enhances its utility in peptide synthesis and pharmaceutical applications, where steric and electronic properties are critical. The isopropyl group introduces increased hydrophobicity and steric hindrance, potentially improving binding selectivity in bioactive compounds. The 5-oxo moiety offers a reactive site for further chemical modifications, making it a versatile intermediate in organic synthesis. Its stability under standard conditions and compatibility with common coupling reagents make it suitable for solid-phase peptide synthesis. This compound is particularly valuable in designing constrained peptides and peptidomimetics.

1-(1-methylethyl)-5-oxo-Proline structure

1001390-55-1 structure

Product Name:1-(1-methylethyl)-5-oxo-Proline

CAS No:1001390-55-1

MF:C₈H₁₃NO₃

MW:171.193722486496

CID:1095826

PubChem ID:4154053

Update Time:2025-05-19

1-(1-methylethyl)-5-oxo-Proline Chemical and Physical Properties

Names and Identifiers

- 1-(1-methylethyl)-5-oxo-Proline
- 1001390-55-1
- CHEMBL1719669
- HMS2539G18
- EU-0029910
- MLS000522024
- 1-ISOPROPYL-5-OXOPYRROLIDINE-2-CARBOXYLIC ACID
- SCHEMBL2443430
- ChemDiv2_003120
- HMS1377N18
- 5-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylicacid
- EN300-370282
- SMR000132432
- AKOS037446629
- 5-Oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid
- Inchi： 1S/C8H13NO3/c1-5(2)9-6(8(11)12)3-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
- InChI Key： JKROOJVDSHRXCY-UHFFFAOYSA-N
- SMILES： O=C1CCC(C(=O)O)N1C(C)C

Computed Properties

Exact Mass: 171.089543g/mol
Monoisotopic Mass: 171.089543g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 212
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
Molecular Weight: 171.19g/mol
XLogP3: 0.2
Topological Polar Surface Area: 57.6?2

1-(1-methylethyl)-5-oxo-Proline Pricemore >>

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Enamine	EN300-370282-0.05g	5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid	1001390-55-1	0.05g	$1308.0	2023-03-02
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Enamine	EN300-370282-1.0g	5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid	1001390-55-1	1g	$0.0	2023-06-06
Enamine	EN300-370282-2.5g	5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylic acid	1001390-55-1	2.5g	$3051.0	2023-03-02
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