2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C12H18N2O4 — CID 43469521

IUPAC2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-9(12(17)18)13-11(16)7-5-10(15)14(6-7)8-3-4-8/h7-9H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyYWCXRJCIOANTTA-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.02
Rot. Bonds5

About 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 43469521) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID43469521
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-9(12(17)18)13-11(16)7-5-10(15)14(6-7)8-3-4-8/h7-9H,2-6H2,1H3,(H,13,16)(H,17,18)
InChIKeyYWCXRJCIOANTTA-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
CID 86977195
2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 108800194
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 43469521) is 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is YWCXRJCIOANTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-9(12(17)18)13-11(16)7-5-10(15)14(6-7)8-3-4-8/h7-9H,2-6H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).