2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid

C12H22N2O3 — CID 61157147

IUPAC2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(10(15)16)14-11(17)12(13)5-3-4-6-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQIRRRCKMVWGRFU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.87
Rot. Bonds5

About 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid

2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 61157147) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID61157147
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1(N)CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8(2)7-9(10(15)16)14-11(17)12(13)5-3-4-6-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQIRRRCKMVWGRFU-UHFFFAOYSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid (CID 61157147) is 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C1(N)CCCC1)C(=O)O.
What is the InChIKey of 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is QIRRRCKMVWGRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-9(10(15)16)14-11(17)12(13)5-3-4-6-12/h8-9H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid?
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61157147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).