ethyl (2R)-2-methylaziridine-1-carboxylate

C6H11NO2 — CID 129364107

IUPACethyl (2R)-2-methylaziridine-1-carboxylate
SMILESCCOC(=O)N1C[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)7-4-5(7)2/h5H,3-4H2,1-2H3/t5-,7?/m1/s1
InChIKeyDAIKRMBKRGYNCV-FOUAAFFMSA-N
MW129.16 g/mol
LogP0.85
Rot. Bonds1

About ethyl (2R)-2-methylaziridine-1-carboxylate

ethyl (2R)-2-methylaziridine-1-carboxylate (PubChem CID 129364107) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl (2R)-2-methylaziridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methylaziridine-1-carboxylate
PubChem CID129364107
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl (2R)-2-methylaziridine-1-carboxylate
SMILESCCOC(=O)N1C[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-9-6(8)7-4-5(7)2/h5H,3-4H2,1-2H3/t5-,7?/m1/s1
InChIKeyDAIKRMBKRGYNCV-FOUAAFFMSA-N
XLogP0.85
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
CID 84820035
diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 121013120
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
3-O-ethyl 1-O-prop-2-enyl (6S)-4-hydroxy-6-methylpiperidine-1,3-dicarboxylate
CID 86592536
ethyl (4R)-5-methyl-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 59922428
ethyl 2-pentylaziridine-1-carboxylate
CID 86053424
2-(diethylamino)ethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
CID 515604

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methylaziridine-1-carboxylate?
The IUPAC name of ethyl (2R)-2-methylaziridine-1-carboxylate (CID 129364107) is ethyl (2R)-2-methylaziridine-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methylaziridine-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-methylaziridine-1-carboxylate is CCOC(=O)N1C[C@H]1C.
What is the InChIKey of ethyl (2R)-2-methylaziridine-1-carboxylate?
The InChIKey is DAIKRMBKRGYNCV-FOUAAFFMSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-9-6(8)7-4-5(7)2/h5H,3-4H2,1-2H3/t5-,7?/m1/s1.
What are the key properties of ethyl (2R)-2-methylaziridine-1-carboxylate?
ethyl (2R)-2-methylaziridine-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methylaziridine-1-carboxylate is sourced from PubChem (CID 129364107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).