3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid

C9H16N2O3 — CID 168658772

IUPAC3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CN)CC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2-9(13)14)11-5-7(4-10)3-8(11)12/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyCXFCEMZTHAIQTB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds4

About 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 168658772) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID168658772
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(CN)CC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2-9(13)14)11-5-7(4-10)3-8(11)12/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyCXFCEMZTHAIQTB-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]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

4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 168658755
(2S)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168658757
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168658977
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168658950
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168658891
tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate
CID 168658834
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
S-[[1-[(2R)-4-hydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666028
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 168658772) is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid is CC(CC(=O)O)N1CC(CN)CC1=O.
What is the InChIKey of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is CXFCEMZTHAIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2-9(13)14)11-5-7(4-10)3-8(11)12/h6-7H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid?
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 168658772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).