(2S,3S)-3-methylaziridine-2-carboxamide

C4H8N2O — CID 78673849

IUPAC(2S,3S)-3-methylaziridine-2-carboxamide
SMILESC[C@@H]1N[C@@H]1C(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3(6-2)4(5)7/h2-3,6H,1H3,(H2,5,7)/t2-,3-/m0/s1
InChIKeyVPQRCGYRFWYOEO-HRFVKAFMSA-N
MW100.12 g/mol
LogP-1.17
Rot. Bonds1

About (2S,3S)-3-methylaziridine-2-carboxamide

(2S,3S)-3-methylaziridine-2-carboxamide (PubChem CID 78673849) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (2S,3S)-3-methylaziridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-methylaziridine-2-carboxamide
PubChem CID78673849
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(2S,3S)-3-methylaziridine-2-carboxamide
SMILESC[C@@H]1N[C@@H]1C(N)=O
InChIInChI=1S/C4H8N2O/c1-2-3(6-2)4(5)7/h2-3,6H,1H3,(H2,5,7)/t2-,3-/m0/s1
InChIKeyVPQRCGYRFWYOEO-HRFVKAFMSA-N
XLogP-1.17
TPSA65.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
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,3S)-3-methylaziridine-2-carboxamide?
The IUPAC name of (2S,3S)-3-methylaziridine-2-carboxamide (CID 78673849) is (2S,3S)-3-methylaziridine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-methylaziridine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-methylaziridine-2-carboxamide is C[C@@H]1N[C@@H]1C(N)=O.
What is the InChIKey of (2S,3S)-3-methylaziridine-2-carboxamide?
The InChIKey is VPQRCGYRFWYOEO-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-3(6-2)4(5)7/h2-3,6H,1H3,(H2,5,7)/t2-,3-/m0/s1.
What are the key properties of (2S,3S)-3-methylaziridine-2-carboxamide?
(2S,3S)-3-methylaziridine-2-carboxamide has a molecular weight of 100.12 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methylaziridine-2-carboxamide is sourced from PubChem (CID 78673849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).