(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide

C10H11NO2 — CID 11240789

IUPAC(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
SMILESC[C@@]1(C(N)=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12)/t8-,10+/m0/s1
InChIKeyFAGCPNFBSVVXEK-WCBMZHEXSA-N
MW177.20 g/mol
LogP1.00
Rot. Bonds2

About (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide

(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide (PubChem CID 11240789) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
PubChem CID11240789
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide
SMILESC[C@@]1(C(N)=O)O[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12)/t8-,10+/m0/s1
InChIKeyFAGCPNFBSVVXEK-WCBMZHEXSA-N
XLogP1.00
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 ≤ 51.00
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

2,3-Diphenyloxirane-2-carboxamide
CID 3434340
3-Phenyloxirane-2,2-dicarboxamide
CID 4557691
3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
2-(Benzyloxy)propanamide
CID 344960
Ethanone, 1-(3-phenyloxiranyl)-
CID 10888230
2-Methyl-3-phenyloxirane-2-carbaldehyde
CID 12629865
2-Methoxy-2-phenylacetamide
CID 344721
1-[(2R,3R)-3-Phenyloxiran-2-yl]ethanone
CID 10441986
3,3,3-Trifluoro-2-methoxy-2-phenylpropanamide
CID 287241
CID 10855785
CID 10855785
2-(3-Phenylpropyl)oxirane-2-carboxamide
CID 12932126
(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 14318226

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide (CID 11240789) is (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide is C[C@@]1(C(N)=O)O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide?
The InChIKey is FAGCPNFBSVVXEK-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H2,11,12)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide?
(2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide has a molecular weight of 177.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 11240789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).