2-(cyclohexylamino)-5-methoxypentanoic acid

C12H23NO3 — CID 82932734

IUPAC2-(cyclohexylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-16-9-5-8-11(12(14)15)13-10-6-3-2-4-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyHMZQFHXOKMAGSU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds7

About 2-(cyclohexylamino)-5-methoxypentanoic acid

2-(cyclohexylamino)-5-methoxypentanoic acid (PubChem CID 82932734) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-methoxypentanoic acid
PubChem CID82932734
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(cyclohexylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC1CCCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-16-9-5-8-11(12(14)15)13-10-6-3-2-4-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyHMZQFHXOKMAGSU-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
6-amino-2-(cyclopentylamino)hexanoic acid
CID 19080804
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(cyclohexylamino)-4-methoxy-4-methylpentanoic acid
CID 106675998
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-(cyclopentylamino)butanoic acid
CID 60998249
2-(cyclopentylamino)-4-methoxy-4-methylpentanoic acid
CID 106675996
2-(cyclohexylamino)-4-ethylsulfanylbutanoic acid
CID 116504388
2-(cyclopropylamino)heptanoic acid
CID 43754511

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(cyclohexylamino)-5-methoxypentanoic acid (CID 82932734) is 2-(cyclohexylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(cyclohexylamino)-5-methoxypentanoic acid is COCCCC(NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylamino)-5-methoxypentanoic acid?
The InChIKey is HMZQFHXOKMAGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-16-9-5-8-11(12(14)15)13-10-6-3-2-4-7-10/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(cyclohexylamino)-5-methoxypentanoic acid?
2-(cyclohexylamino)-5-methoxypentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 82932734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).