ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate

C10H17NO3 — CID 10703159

IUPACethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)[C@@H]1CC(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)11-6-9(12)8(11)5-7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyJXPJBZPCNYMZFP-QMMMGPOBSA-N
MW199.25 g/mol
LogP1.44
Rot. Bonds3

About ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate

ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate (PubChem CID 10703159) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate
PubChem CID10703159
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)[C@@H]1CC(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)11-6-9(12)8(11)5-7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyJXPJBZPCNYMZFP-QMMMGPOBSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate (CID 10703159) is ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate is CCOC(=O)N1CC(=O)[C@@H]1CC(C)C.
What is the InChIKey of ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate?
The InChIKey is JXPJBZPCNYMZFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-10(13)11-6-9(12)8(11)5-7(2)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate?
ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-methylpropyl)-3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 10703159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).