(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide

C12H24N2O2 — CID 58369423

IUPAC(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-7(2)11(13)12(16)14-9-5-4-8(3)10(15)6-9/h7-11,15H,4-6,13H2,1-3H3,(H,14,16)/t8-,9-,10-,11+/m0/s1
InChIKeyOFOFISBIIBDUJQ-XWLWVQCSSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds3

About (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide

(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide (PubChem CID 58369423) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
PubChem CID58369423
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C)[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-7(2)11(13)12(16)14-9-5-4-8(3)10(15)6-9/h7-11,15H,4-6,13H2,1-3H3,(H,14,16)/t8-,9-,10-,11+/m0/s1
InChIKeyOFOFISBIIBDUJQ-XWLWVQCSSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide 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 (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide (CID 58369423) is (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C)[C@@H](O)C1.
What is the InChIKey of (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide?
The InChIKey is OFOFISBIIBDUJQ-XWLWVQCSSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7(2)11(13)12(16)14-9-5-4-8(3)10(15)6-9/h7-11,15H,4-6,13H2,1-3H3,(H,14,16)/t8-,9-,10-,11+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide?
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide is sourced from PubChem (CID 58369423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).