(2R)-N,N,2-trimethylaziridine-1-carboxamide

C6H12N2O — CID 86306657

IUPAC(2R)-N,N,2-trimethylaziridine-1-carboxamide
SMILESC[C@@H]1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m1/s1
InChIKeyVGGNVBNNVSIGKG-RUQIKYNFSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds

About (2R)-N,N,2-trimethylaziridine-1-carboxamide

(2R)-N,N,2-trimethylaziridine-1-carboxamide (PubChem CID 86306657) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R)-N,N,2-trimethylaziridine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,2-trimethylaziridine-1-carboxamide
PubChem CID86306657
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2R)-N,N,2-trimethylaziridine-1-carboxamide
SMILESC[C@@H]1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m1/s1
InChIKeyVGGNVBNNVSIGKG-RUQIKYNFSA-N
XLogP0.37
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-N,N,2-trimethylaziridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19470
CID 19470
CID 52159
CID 52159
CID 19962444
CID 19962444
CID 312729
CID 312729
CID 245517
CID 245517
CID 11007919
CID 11007919
CID 21584147
CID 21584147
CID 21850797
CID 21850797
CID 22118000
CID 22118000
CID 45084177
CID 45084177
CID 87510218
CID 87510218
CID 88793805
CID 88793805

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,2-trimethylaziridine-1-carboxamide?
The IUPAC name of (2R)-N,N,2-trimethylaziridine-1-carboxamide (CID 86306657) is (2R)-N,N,2-trimethylaziridine-1-carboxamide.
What is the SMILES notation for (2R)-N,N,2-trimethylaziridine-1-carboxamide?
The canonical SMILES for (2R)-N,N,2-trimethylaziridine-1-carboxamide is C[C@@H]1CN1C(=O)N(C)C.
What is the InChIKey of (2R)-N,N,2-trimethylaziridine-1-carboxamide?
The InChIKey is VGGNVBNNVSIGKG-RUQIKYNFSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m1/s1.
What are the key properties of (2R)-N,N,2-trimethylaziridine-1-carboxamide?
(2R)-N,N,2-trimethylaziridine-1-carboxamide has a molecular weight of 128.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,2-trimethylaziridine-1-carboxamide is sourced from PubChem (CID 86306657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).