ethyl 3-amino-4-oxoazetidine-2-carboxylate

C6H10N2O3 — CID 14230686

IUPACethyl 3-amino-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)C1N
InChIInChI=1S/C6H10N2O3/c1-2-11-6(10)4-3(7)5(9)8-4/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyOILYITFIKIYFPC-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.62
Rot. Bonds2

About ethyl 3-amino-4-oxoazetidine-2-carboxylate

ethyl 3-amino-4-oxoazetidine-2-carboxylate (PubChem CID 14230686) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is ethyl 3-amino-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-oxoazetidine-2-carboxylate
PubChem CID14230686
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Nameethyl 3-amino-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1NC(=O)C1N
InChIInChI=1S/C6H10N2O3/c1-2-11-6(10)4-3(7)5(9)8-4/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyOILYITFIKIYFPC-UHFFFAOYSA-N
XLogP-1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-oxoazetidine-2-carboxylate (CID 14230686) is ethyl 3-amino-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-oxoazetidine-2-carboxylate is CCOC(=O)C1NC(=O)C1N.
What is the InChIKey of ethyl 3-amino-4-oxoazetidine-2-carboxylate?
The InChIKey is OILYITFIKIYFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-11-6(10)4-3(7)5(9)8-4/h3-4H,2,7H2,1H3,(H,8,9).
What are the key properties of ethyl 3-amino-4-oxoazetidine-2-carboxylate?
ethyl 3-amino-4-oxoazetidine-2-carboxylate has a molecular weight of 158.16 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 14230686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).