(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid

C10H19NO3 — CID 69117048

IUPAC(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCC1CCCCC1
InChIInChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m1/s1
InChIKeyMSKQSNVLXCNMCX-SECBINFHSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds5

About (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid

(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid (PubChem CID 69117048) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid
PubChem CID69117048
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCC1CCCCC1
InChIInChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m1/s1
InChIKeyMSKQSNVLXCNMCX-SECBINFHSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic 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 (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid (CID 69117048) is (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NCC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid?
The InChIKey is MSKQSNVLXCNMCX-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h8-9,11-12H,1-7H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid?
(2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 69117048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).