(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide

C13H18N2O2 — CID 102402921

IUPAC(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-7-5-4-6-8-11)15-9-12(15)13(16)14(2)17-3/h4-8,10,12H,9H2,1-3H3/t10-,12-,15?/m1/s1
InChIKeyDWNPWBWBFZVXEW-VCQMFTIRSA-N
MW234.30 g/mol
LogP1.45
Rot. Bonds4

About (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide

(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide (PubChem CID 102402921) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
PubChem CID102402921
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-7-5-4-6-8-11)15-9-12(15)13(16)14(2)17-3/h4-8,10,12H,9H2,1-3H3/t10-,12-,15?/m1/s1
InChIKeyDWNPWBWBFZVXEW-VCQMFTIRSA-N
XLogP1.45
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
tert-butyl 1-[(1S)-1-phenylethyl]aziridine-2-carboxylate
CID 101000098
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 134939139
1-benzhydryl-N-methoxy-N-methylazetidine-3-carboxamide
CID 22506711
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]hexadecan-1-one
CID 11783983
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]-(1,3-thiazol-2-yl)methanone
CID 11128993

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The IUPAC name of (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide (CID 102402921) is (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide.
What is the SMILES notation for (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The canonical SMILES for (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide is CON(C)C(=O)[C@H]1CN1[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The InChIKey is DWNPWBWBFZVXEW-VCQMFTIRSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-7-5-4-6-8-11)15-9-12(15)13(16)14(2)17-3/h4-8,10,12H,9H2,1-3H3/t10-,12-,15?/m1/s1.
What are the key properties of (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
(2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-N-methyl-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide is sourced from PubChem (CID 102402921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).