2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid

C12H22N2O4 — CID 62478798

IUPAC2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-8-7-10(11(15)16)14-12(17)13-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAHASTEBFNWGEJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds6

About 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid

2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid (PubChem CID 62478798) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
PubChem CID62478798
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-18-8-7-10(11(15)16)14-12(17)13-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyAHASTEBFNWGEJI-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic 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

(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
4-methoxy-2-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586596

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid (CID 62478798) is 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid is COCCC(NC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid?
The InChIKey is AHASTEBFNWGEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-8-7-10(11(15)16)14-12(17)13-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid?
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 62478798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).