5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

C13H23N3O4 — CID 61199710

IUPAC5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8-3-2-4-9(7-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyUWAWAKFNQKPJGU-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.58
Rot. Bonds6

About 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 61199710) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID61199710
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-8-3-2-4-9(7-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyUWAWAKFNQKPJGU-UHFFFAOYSA-N
XLogP0.58
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic 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)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (CID 61199710) is 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is CC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1.
What is the InChIKey of 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is UWAWAKFNQKPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8-3-2-4-9(7-8)15-13(20)16-10(12(18)19)5-6-11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61199710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).