(3R)-4-amino-3-cyclohexylbutanoic acid

C10H19NO2 — CID 8000611

IUPAC(3R)-4-amino-3-cyclohexylbutanoic acid
SMILESNC[C@H](CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyCOWRXQGSKBKNDU-VIFPVBQESA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds4

About (3R)-4-amino-3-cyclohexylbutanoic acid

(3R)-4-amino-3-cyclohexylbutanoic acid (PubChem CID 8000611) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-4-amino-3-cyclohexylbutanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-cyclohexylbutanoic acid
PubChem CID8000611
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-4-amino-3-cyclohexylbutanoic acid
SMILESNC[C@H](CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyCOWRXQGSKBKNDU-VIFPVBQESA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-4-amino-3-cyclohexylbutanoic 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 (3R)-4-amino-3-cyclohexylbutanoic acid?
The IUPAC name of (3R)-4-amino-3-cyclohexylbutanoic acid (CID 8000611) is (3R)-4-amino-3-cyclohexylbutanoic acid.
What is the SMILES notation for (3R)-4-amino-3-cyclohexylbutanoic acid?
The canonical SMILES for (3R)-4-amino-3-cyclohexylbutanoic acid is NC[C@H](CC(=O)O)C1CCCCC1.
What is the InChIKey of (3R)-4-amino-3-cyclohexylbutanoic acid?
The InChIKey is COWRXQGSKBKNDU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (3R)-4-amino-3-cyclohexylbutanoic acid?
(3R)-4-amino-3-cyclohexylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-cyclohexylbutanoic acid is sourced from PubChem (CID 8000611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).