3-(hexanoylamino)cyclopentane-1-carboxylic acid

C12H21NO3 — CID 66030150

IUPAC3-(hexanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13-10-7-6-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZTUMWPCFZGERLE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.94
Rot. Bonds6

About 3-(hexanoylamino)cyclopentane-1-carboxylic acid

3-(hexanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030150) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(hexanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(hexanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030150
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(hexanoylamino)cyclopentane-1-carboxylic acid
SMILESCCCCCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13-10-7-6-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyZTUMWPCFZGERLE-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997
dodecanoic acid;4-(dodecanoylamino)cyclohexane-1-carboxamide
CID 70017532
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958

Frequently Asked Questions

What is the IUPAC name of 3-(hexanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(hexanoylamino)cyclopentane-1-carboxylic acid (CID 66030150) is 3-(hexanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(hexanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(hexanoylamino)cyclopentane-1-carboxylic acid is CCCCCC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(hexanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZTUMWPCFZGERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-5-11(14)13-10-7-6-9(8-10)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(hexanoylamino)cyclopentane-1-carboxylic acid?
3-(hexanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).