(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide

C8H13N3O3 — CID 101002831

IUPAC(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-4(7(9)13)10-8(14)5-2-3-6(12)11-5/h4-5H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12)/t4?,5-/m0/s1
InChIKeyCLNSLBYOSNFAOC-AKGZTFGVSA-N
MW199.21 g/mol
LogP-1.75
Rot. Bonds3

About (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 101002831) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID101002831
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
InChIInChI=1S/C8H13N3O3/c1-4(7(9)13)10-8(14)5-2-3-6(12)11-5/h4-5H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12)/t4?,5-/m0/s1
InChIKeyCLNSLBYOSNFAOC-AKGZTFGVSA-N
XLogP-1.75
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
N-(1,6-diamino-1-oxohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71339039
(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 155074064
(2S)-2-methyl-1-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 70536870
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 101002831) is (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1CCC(=O)N1)C(N)=O.
What is the InChIKey of (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CLNSLBYOSNFAOC-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4(7(9)13)10-8(14)5-2-3-6(12)11-5/h4-5H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 101002831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).