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

C10H11NO2 — CID 55266155

IUPAC(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
SMILESCc1ccccc1[C@@H]1O[C@H]1C(N)=O
InChIInChI=1S/C10H11NO2/c1-6-4-2-3-5-7(6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9+/m0/s1
InChIKeyVOVFJVXRQISFMW-DTWKUNHWSA-N
MW177.20 g/mol
LogP0.92
Rot. Bonds2

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

(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide (PubChem CID 55266155) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
PubChem CID55266155
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide
SMILESCc1ccccc1[C@@H]1O[C@H]1C(N)=O
InChIInChI=1S/C10H11NO2/c1-6-4-2-3-5-7(6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9+/m0/s1
InChIKeyVOVFJVXRQISFMW-DTWKUNHWSA-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'}

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Related Compounds

ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236
methyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 14295972
(2S,3R)-3-(2-methylphenyl)-N,N-diphenyloxirane-2-carboxamide
CID 102272883
(2S,3R)-3-(2-nitrophenyl)oxirane-2-carboxamide
CID 125497488
(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
CID 135544950
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110
3-(4-fluorophenyl)oxirane-2-carboxamide
CID 53427164
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
CID 118140942
(4S,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 774799
ethyl 3-[2-(bromomethyl)phenyl]oxirane-2-carboxylate
CID 14774128
(2S,3S)-3-(2-methylphenyl)oxirane-2-carbonitrile
CID 101249405

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide (CID 55266155) is (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide is Cc1ccccc1[C@@H]1O[C@H]1C(N)=O.
What is the InChIKey of (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide?
The InChIKey is VOVFJVXRQISFMW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-4-2-3-5-7(6)8-9(13-8)10(11)12/h2-5,8-9H,1H3,(H2,11,12)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-(2-methylphenyl)oxirane-2-carboxamide?
(2R,3S)-3-(2-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,3S)-3-(2-methylphenyl)oxirane-2-carboxamide is sourced from PubChem (CID 55266155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).