(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid

C11H19NO4 — CID 58676570

IUPAC(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-7(13)12-9(11(15)16)10(14)8-5-3-2-4-6-8/h8-10,14H,2-6H2,1H3,(H,12,13)(H,15,16)/t9-,10-/m1/s1
InChIKeyBLBGWGJUSTVHHM-NXEZZACHSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds4

About (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid

(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid (PubChem CID 58676570) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid
PubChem CID58676570
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@H](O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-7(13)12-9(11(15)16)10(14)8-5-3-2-4-6-8/h8-10,14H,2-6H2,1H3,(H,12,13)(H,15,16)/t9-,10-/m1/s1
InChIKeyBLBGWGJUSTVHHM-NXEZZACHSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-acetamido-3-cyclohexyl-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,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid?
The IUPAC name of (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid (CID 58676570) is (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid is CC(=O)N[C@@H](C(=O)O)[C@H](O)C1CCCCC1.
What is the InChIKey of (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid?
The InChIKey is BLBGWGJUSTVHHM-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(13)12-9(11(15)16)10(14)8-5-3-2-4-6-8/h8-10,14H,2-6H2,1H3,(H,12,13)(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid?
(2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-acetamido-3-cyclohexyl-3-hydroxypropanoic acid is sourced from PubChem (CID 58676570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).