4-(3-aminopyrrolidin-1-yl)butanoic acid

C8H16N2O2 — CID 62069212

IUPAC4-(3-aminopyrrolidin-1-yl)butanoic acid
SMILESNC1CCN(CCCC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c9-7-3-5-10(6-7)4-1-2-8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyGPCPOUVOAYDKMR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.12
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)butanoic acid

4-(3-aminopyrrolidin-1-yl)butanoic acid (PubChem CID 62069212) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)butanoic acid
PubChem CID62069212
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(3-aminopyrrolidin-1-yl)butanoic acid
SMILESNC1CCN(CCCC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c9-7-3-5-10(6-7)4-1-2-8(11)12/h7H,1-6,9H2,(H,11,12)
InChIKeyGPCPOUVOAYDKMR-UHFFFAOYSA-N
XLogP-0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopyrrolidin-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

(2S)-2-amino-4-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 12182633
3-Amino-4-(3,3-difluoropyrrolidin-1-yl)butanoic acid
CID 116991624
2-Amino-4-[di(propan-2-yl)amino]butanoic acid
CID 12833059
[3-Carboxy-2-(ethylamino)propyl]-trimethylazanium
CID 14234338
[(2R)-3-carboxy-2-(ethylamino)propyl]-trimethylazanium
CID 14234340
4-(1,4,8,11-Tetrazacyclotetradec-1-yl)butanoic acid
CID 23078920
2-Amino-4-(diethylamino)butanoic acid
CID 24689443
(2S)-2-Amino-4-(diethylamino)butanoic acid
CID 28169010
4-[Bis(3-aminopropyl)amino]butanoic acid
CID 54134866
4-(2,3-Diaminopropylamino)butanoic acid
CID 57204505
2-Amino-4-(pyrrolidin-1-YL)butanoic acid
CID 57459750
4-Amino-1-methylpyrrolidine-3-carboxylic acid
CID 58426104

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)butanoic acid (CID 62069212) is 4-(3-aminopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)butanoic acid is NC1CCN(CCCC(=O)O)C1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)butanoic acid?
The InChIKey is GPCPOUVOAYDKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-7-3-5-10(6-7)4-1-2-8(11)12/h7H,1-6,9H2,(H,11,12).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)butanoic acid?
4-(3-aminopyrrolidin-1-yl)butanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 62069212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).