(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide

C11H13NO3 — CID 57212777

IUPAC(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide
SMILESCNC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C11H13NO3/c1-12-11(13)10-9(15-10)7-3-5-8(14-2)6-4-7/h3-6,9-10H,1-2H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyCWSAZEAMNOJODO-VHSXEESVSA-N
MW207.23 g/mol
LogP0.88
Rot. Bonds3

About (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide

(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide (PubChem CID 57212777) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide
PubChem CID57212777
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide
SMILESCNC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C11H13NO3/c1-12-11(13)10-9(15-10)7-3-5-8(14-2)6-4-7/h3-6,9-10H,1-2H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyCWSAZEAMNOJODO-VHSXEESVSA-N
XLogP0.88
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N-benzyl-3-(4-methoxyphenyl)oxirane-2-carboxamide
CID 135481416
potassium (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 139621521
potassium (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 23702120
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
tert-butyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 15315317
tert-butyl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 135529667
propan-2-yl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 11107343
(4-methoxyphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 14784200
[(2R,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-(4-methylphenyl)methanone
CID 2421215
methyl (2R,3R,4S,5S)-3,4-dicyano-5-(4-methoxyphenyl)oxolane-2-carboxylate
CID 95988248
2-[(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-N,N-dimethylprop-2-enamide
CID 135886600
2-(dimethylamino)ethyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 54511223

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide (CID 57212777) is (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide is CNC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide?
The InChIKey is CWSAZEAMNOJODO-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-11(13)10-9(15-10)7-3-5-8(14-2)6-4-7/h3-6,9-10H,1-2H3,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide?
(2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methoxyphenyl)-N-methyloxirane-2-carboxamide is sourced from PubChem (CID 57212777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).