4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid

C14H25NO4 — CID 69472017

IUPAC4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)CCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c16-13(17)5-3-1-2-4-10-15-12-8-6-11(7-9-12)14(18)19/h11-12,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyMPYIFLVWBYGUFQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds9

About 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid

4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid (PubChem CID 69472017) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid
PubChem CID69472017
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)CCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c16-13(17)5-3-1-2-4-10-15-12-8-6-11(7-9-12)14(18)19/h11-12,15H,1-10H2,(H,16,17)(H,18,19)
InChIKeyMPYIFLVWBYGUFQ-UHFFFAOYSA-N
XLogP2.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-carboxyhexylamino)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 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid (CID 69472017) is 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid is O=C(O)CCCCCCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MPYIFLVWBYGUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-13(17)5-3-1-2-4-10-15-12-8-6-11(7-9-12)14(18)19/h11-12,15H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid?
4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carboxyhexylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69472017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).