3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid

C15H27NO3 — CID 5114469

IUPAC3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid
SMILESCCCC1CCC(C(=O)NC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)14(17)16-13(10(2)3)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUXPFEWOBYHVHGJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds6

About 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid

3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid (PubChem CID 5114469) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid
PubChem CID5114469
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid
SMILESCCCC1CCC(C(=O)NC(C(=O)O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)14(17)16-13(10(2)3)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUXPFEWOBYHVHGJ-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]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 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid (CID 5114469) is 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid is CCCC1CCC(C(=O)NC(C(=O)O)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid?
The InChIKey is UXPFEWOBYHVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)14(17)16-13(10(2)3)15(18)19/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid?
3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 5114469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).