4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid

C14H27NO3 — CID 55143185

IUPAC4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
SMILESCC1CCCC(OCCC(NC(C)C)C(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-10(2)15-13(14(16)17)7-8-18-12-6-4-5-11(3)9-12/h10-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyJCWNVWFIPZTPOF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.42
Rot. Bonds7

About 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid

4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid (PubChem CID 55143185) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
PubChem CID55143185
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
SMILESCC1CCCC(OCCC(NC(C)C)C(=O)O)C1
InChIInChI=1S/C14H27NO3/c1-10(2)15-13(14(16)17)7-8-18-12-6-4-5-11(3)9-12/h10-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyJCWNVWFIPZTPOF-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)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-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid (CID 55143185) is 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid is CC1CCCC(OCCC(NC(C)C)C(=O)O)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid?
The InChIKey is JCWNVWFIPZTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)15-13(14(16)17)7-8-18-12-6-4-5-11(3)9-12/h10-13,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid?
4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 55143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).