(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide

C10H11NO2 — CID 135544950

IUPAC(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
SMILESCc1ccc([C@H]2O[C@H]2C(N)=O)cc1
InChIInChI=1S/C10H11NO2/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9-/m1/s1
InChIKeyULBSNGUYUQIPHV-RKDXNWHRSA-N
MW177.20 g/mol
LogP0.92
Rot. Bonds2

About (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide

(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide (PubChem CID 135544950) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
PubChem CID135544950
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
SMILESCc1ccc([C@H]2O[C@H]2C(N)=O)cc1
InChIInChI=1S/C10H11NO2/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9-/m1/s1
InChIKeyULBSNGUYUQIPHV-RKDXNWHRSA-N
XLogP0.92
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide 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)-3-(4-methylphenyl)oxirane-2-carboxamide?
The IUPAC name of (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide (CID 135544950) is (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide is Cc1ccc([C@H]2O[C@H]2C(N)=O)cc1.
What is the InChIKey of (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide?
The InChIKey is ULBSNGUYUQIPHV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-4-7(5-3-6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide?
(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide is sourced from PubChem (CID 135544950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).