4-(hexylcarbamoylamino)butanoic acid

C11H22N2O3 — CID 2824980

IUPAC4-(hexylcarbamoylamino)butanoic acid
SMILESCCCCCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-8-12-11(16)13-9-6-7-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRYCKGBOWZMJJNQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds9

About 4-(hexylcarbamoylamino)butanoic acid

4-(hexylcarbamoylamino)butanoic acid (PubChem CID 2824980) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(hexylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(hexylcarbamoylamino)butanoic acid
PubChem CID2824980
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-(hexylcarbamoylamino)butanoic acid
SMILESCCCCCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-5-8-12-11(16)13-9-6-7-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRYCKGBOWZMJJNQ-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(hexylcarbamoylamino)butanoic 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-(hexylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(hexylcarbamoylamino)butanoic acid (CID 2824980) is 4-(hexylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(hexylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(hexylcarbamoylamino)butanoic acid is CCCCCCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-(hexylcarbamoylamino)butanoic acid?
The InChIKey is RYCKGBOWZMJJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-5-8-12-11(16)13-9-6-7-10(14)15/h2-9H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-(hexylcarbamoylamino)butanoic acid?
4-(hexylcarbamoylamino)butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylcarbamoylamino)butanoic acid is sourced from PubChem (CID 2824980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).