4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid

C13H24N2O3 — CID 55172631

IUPAC4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)7-11(12(16)17)15-13(18)14-10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyATTCVOQSLKMONV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds5

About 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid

4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid (PubChem CID 55172631) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
PubChem CID55172631
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)7-11(12(16)17)15-13(18)14-10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyATTCVOQSLKMONV-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic 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

methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid (CID 55172631) is 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NC1CCCC1C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
The InChIKey is ATTCVOQSLKMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)7-11(12(16)17)15-13(18)14-10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid?
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 55172631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).