(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide

C11H14N2O — CID 7016432

IUPAC(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@H]1C(N)=O
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)/t8-,10+,13?/m1/s1
InChIKeyPUPRTGJZBLTWDQ-KMDCHFIWSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds3

About (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide

(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide (PubChem CID 7016432) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
PubChem CID7016432
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide
SMILESC[C@H](c1ccccc1)N1C[C@H]1C(N)=O
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)/t8-,10+,13?/m1/s1
InChIKeyPUPRTGJZBLTWDQ-KMDCHFIWSA-N
XLogP0.92
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide (CID 7016432) is (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide is C[C@H](c1ccccc1)N1C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
The InChIKey is PUPRTGJZBLTWDQ-KMDCHFIWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)/t8-,10+,13?/m1/s1.
What are the key properties of (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide?
(2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-phenylethyl]aziridine-2-carboxamide is sourced from PubChem (CID 7016432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).