4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid

C11H20N2O3 — CID 64823823

IUPAC4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-13(7-3-6-10(14)15)11(16)8-4-2-5-9(8)12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyGESBAUMXBZKPMT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds5

About 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid

4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid (PubChem CID 64823823) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
PubChem CID64823823
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-13(7-3-6-10(14)15)11(16)8-4-2-5-9(8)12/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyGESBAUMXBZKPMT-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-aminocyclopentanecarbonyl)-methylamino]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-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66236255
cis-(1R,2S)-2-amino-N-methyl-N-propylcycloheptane-1-carboxamide
CID 97051119
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 63009884
trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
CID 99849846
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-(cyclohexylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64822627

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid (CID 64823823) is 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCCC1N.
What is the InChIKey of 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
The InChIKey is GESBAUMXBZKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(7-3-6-10(14)15)11(16)8-4-2-5-9(8)12/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid?
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 64823823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).