(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide

C12H16N2O4 — CID 156596912

IUPAC(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccccc1O
InChIInChI=1S/C12H16N2O4/c1-8(16)14-10(7-15)12(18)13-6-9-4-2-3-5-11(9)17/h2-5,10,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t10-/m1/s1
InChIKeyJQRGYQUGGPSCPJ-SNVBAGLBSA-N
MW252.27 g/mol
LogP-0.49
Rot. Bonds5

About (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide

(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide (PubChem CID 156596912) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide
PubChem CID156596912
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccccc1O
InChIInChI=1S/C12H16N2O4/c1-8(16)14-10(7-15)12(18)13-6-9-4-2-3-5-11(9)17/h2-5,10,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t10-/m1/s1
InChIKeyJQRGYQUGGPSCPJ-SNVBAGLBSA-N
XLogP-0.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide 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-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide (CID 156596912) is (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide is CC(=O)N[C@H](CO)C(=O)NCc1ccccc1O.
What is the InChIKey of (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide?
The InChIKey is JQRGYQUGGPSCPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(16)14-10(7-15)12(18)13-6-9-4-2-3-5-11(9)17/h2-5,10,15,17H,6-7H2,1H3,(H,13,18)(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide?
(2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide has a molecular weight of 252.27 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-hydroxy-N-[(2-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 156596912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).