1-(hexanoylamino)cycloheptane-1-carboxylic acid

C14H25NO3 — CID 43341577

IUPAC1-(hexanoylamino)cycloheptane-1-carboxylic acid
SMILESCCCCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-6-9-12(16)15-14(13(17)18)10-7-4-5-8-11-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyWUFWQPYBJJJAMY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds6

About 1-(hexanoylamino)cycloheptane-1-carboxylic acid

1-(hexanoylamino)cycloheptane-1-carboxylic acid (PubChem CID 43341577) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(hexanoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(hexanoylamino)cycloheptane-1-carboxylic acid
PubChem CID43341577
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(hexanoylamino)cycloheptane-1-carboxylic acid
SMILESCCCCCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-6-9-12(16)15-14(13(17)18)10-7-4-5-8-11-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyWUFWQPYBJJJAMY-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(hexanoylamino)cycloheptane-1-carboxylic 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

1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-(3-butylsulfanylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119176584
N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
1-[(2-butylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid
CID 43360681

Frequently Asked Questions

What is the IUPAC name of 1-(hexanoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(hexanoylamino)cycloheptane-1-carboxylic acid (CID 43341577) is 1-(hexanoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(hexanoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(hexanoylamino)cycloheptane-1-carboxylic acid is CCCCCC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(hexanoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is WUFWQPYBJJJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-6-9-12(16)15-14(13(17)18)10-7-4-5-8-11-14/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-(hexanoylamino)cycloheptane-1-carboxylic acid?
1-(hexanoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexanoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).