(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide

C6H12N2O2 — CID 23272153

IUPAC(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide
SMILESCON1C[C@H]1C(=O)N(C)C
InChIInChI=1S/C6H12N2O2/c1-7(2)6(9)5-4-8(5)10-3/h5H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyDNNSFBVRFNUOOD-NTFOPCPOSA-N
MW144.17 g/mol
LogP-0.68
Rot. Bonds2

About (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide

(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide (PubChem CID 23272153) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide
PubChem CID23272153
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide
SMILESCON1C[C@H]1C(=O)N(C)C
InChIInChI=1S/C6H12N2O2/c1-7(2)6(9)5-4-8(5)10-3/h5H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyDNNSFBVRFNUOOD-NTFOPCPOSA-N
XLogP-0.68
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-N,N-dimethylaziridine-2-carboxamide?
The IUPAC name of (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide (CID 23272153) is (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide.
What is the SMILES notation for (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide?
The canonical SMILES for (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide is CON1C[C@H]1C(=O)N(C)C.
What is the InChIKey of (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide?
The InChIKey is DNNSFBVRFNUOOD-NTFOPCPOSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-7(2)6(9)5-4-8(5)10-3/h5H,4H2,1-3H3/t5-,8?/m0/s1.
What are the key properties of (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide?
(2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide has a molecular weight of 144.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N,N-dimethylaziridine-2-carboxamide is sourced from PubChem (CID 23272153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).