ethyl (2R)-2-methyl-2H-azirine-3-carboxylate

C6H9NO2 — CID 129404685

IUPACethyl (2R)-2-methyl-2H-azirine-3-carboxylate
SMILESCCOC(=O)C1=N[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-9-6(8)5-4(2)7-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyJGACGWFNMFRIED-SCSAIBSYSA-N
MW127.14 g/mol
LogP0.39
Rot. Bonds2

About ethyl (2R)-2-methyl-2H-azirine-3-carboxylate

ethyl (2R)-2-methyl-2H-azirine-3-carboxylate (PubChem CID 129404685) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-2H-azirine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-2H-azirine-3-carboxylate
PubChem CID129404685
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Nameethyl (2R)-2-methyl-2H-azirine-3-carboxylate
SMILESCCOC(=O)C1=N[C@@H]1C
InChIInChI=1S/C6H9NO2/c1-3-9-6(8)5-4(2)7-5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyJGACGWFNMFRIED-SCSAIBSYSA-N
XLogP0.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-2H-azirine-2-carboxylate
CID 12635527
Ethyl 3-propan-2-yliminobutanoate
CID 90808573
ethyl 2-ethyl-2H-azirine-3-carboxylate
CID 12803929
ethyl (2S)-3-methyl-2H-azirine-2-carboxylate
CID 102445887
Ethyl 3-(methylimino)butanoate
CID 12399140
Ethyl 2-methyliminobutanoate
CID 18322595
Ethyl 3-ethyliminobutanoate
CID 53856161
Ethyl 3-cyclopropyliminobutanoate
CID 90894658
4-Cyclopropyliminooxolan-2-one
CID 91233183
Ethyl 2-methyliminobutanoate;molecular hydrogen
CID 141964356
Methyl 2-ethyliminobutanoate
CID 142507235
Ethyl 3-(3-methoxypropylimino)butanoate
CID 178130169

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-2H-azirine-3-carboxylate?
The IUPAC name of ethyl (2R)-2-methyl-2H-azirine-3-carboxylate (CID 129404685) is ethyl (2R)-2-methyl-2H-azirine-3-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methyl-2H-azirine-3-carboxylate?
The canonical SMILES for ethyl (2R)-2-methyl-2H-azirine-3-carboxylate is CCOC(=O)C1=N[C@@H]1C.
What is the InChIKey of ethyl (2R)-2-methyl-2H-azirine-3-carboxylate?
The InChIKey is JGACGWFNMFRIED-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-9-6(8)5-4(2)7-5/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-2H-azirine-3-carboxylate?
ethyl (2R)-2-methyl-2H-azirine-3-carboxylate has a molecular weight of 127.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-2H-azirine-3-carboxylate is sourced from PubChem (CID 129404685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).