2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid

C13H23NO3 — CID 61293760

IUPAC2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H23NO3/c1-3-4-8-11(15)14-13(12(16)17)9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVTUXJMTXABBCQM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds5

About 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid

2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61293760) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
PubChem CID61293760
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
SMILESCCCCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H23NO3/c1-3-4-8-11(15)14-13(12(16)17)9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyVTUXJMTXABBCQM-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(pentanoylamino)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid (CID 61293760) is 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid is CCCCC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is VTUXJMTXABBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-4-8-11(15)14-13(12(16)17)9-6-5-7-10(13)2/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid?
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).