6-(octan-4-ylcarbamoylamino)hexanoic acid

C15H30N2O3 — CID 106020478

IUPAC6-(octan-4-ylcarbamoylamino)hexanoic acid
SMILESCCCCC(CCC)NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-3-5-10-13(9-4-2)17-15(20)16-12-8-6-7-11-14(18)19/h13H,3-12H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNYZBBZPANCFOPD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.29
Rot. Bonds12

About 6-(octan-4-ylcarbamoylamino)hexanoic acid

6-(octan-4-ylcarbamoylamino)hexanoic acid (PubChem CID 106020478) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(octan-4-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(octan-4-ylcarbamoylamino)hexanoic acid
PubChem CID106020478
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name6-(octan-4-ylcarbamoylamino)hexanoic acid
SMILESCCCCC(CCC)NC(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-3-5-10-13(9-4-2)17-15(20)16-12-8-6-7-11-14(18)19/h13H,3-12H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyNYZBBZPANCFOPD-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(octan-4-ylcarbamoylamino)hexanoic 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

3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020663
1-heptan-4-yl-3-pentylurea
CID 123857321
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
1-butyl-3-hexan-3-ylurea
CID 115596662
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
6-(2-butyloctanoylamino)hexanoic acid
CID 175445274
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
3-(octan-4-ylcarbamoylamino)pentanoic acid
CID 106020637
2-(pentylcarbamoylamino)pentanedioic acid
CID 61183421

Frequently Asked Questions

What is the IUPAC name of 6-(octan-4-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(octan-4-ylcarbamoylamino)hexanoic acid (CID 106020478) is 6-(octan-4-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(octan-4-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(octan-4-ylcarbamoylamino)hexanoic acid is CCCCC(CCC)NC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(octan-4-ylcarbamoylamino)hexanoic acid?
The InChIKey is NYZBBZPANCFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-5-10-13(9-4-2)17-15(20)16-12-8-6-7-11-14(18)19/h13H,3-12H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 6-(octan-4-ylcarbamoylamino)hexanoic acid?
6-(octan-4-ylcarbamoylamino)hexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.29, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(octan-4-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 106020478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).