2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid

C15H27NO4 — CID 81076333

IUPAC2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyGRVCTQKFVMSPLK-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds9

About 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid

2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid (PubChem CID 81076333) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
PubChem CID81076333
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyGRVCTQKFVMSPLK-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic 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

5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
2-(3-cyclopentylpropylcarbamoylamino)-5-methoxypentanoic acid
CID 106005297
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(cyclohexylamino)-5-methoxypentanoic acid
CID 82932734
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid (CID 81076333) is 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)CCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid?
The InChIKey is GRVCTQKFVMSPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid?
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81076333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).