ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate

C6H9NO4 — CID 71328527

IUPACethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1O
InChIInChI=1S/C6H9NO4/c1-2-11-6(9)4-3-5(8)7(4)10/h4,10H,2-3H2,1H3
InChIKeyZWAROPMKLXLLBJ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.46
Rot. Bonds2

About ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate

ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate (PubChem CID 71328527) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
PubChem CID71328527
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Nameethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)N1O
InChIInChI=1S/C6H9NO4/c1-2-11-6(9)4-3-5(8)7(4)10/h4,10H,2-3H2,1H3
InChIKeyZWAROPMKLXLLBJ-UHFFFAOYSA-N
XLogP-0.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 11207380
ethyl 7-oxo-4-selena-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11402378
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 85231054
2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
CID 71186618
ethyl (2S)-1-carbamothioyl-5-oxopyrrolidine-2-carboxylate
CID 45118614
ethyl (2S)-1-benzhydrylsilyl-4-oxoazetidine-2-carboxylate
CID 154260649
1-O-tert-butyl 2-O,4-O-diethyl (2S)-5-oxopyrrolidine-1,2,4-tricarboxylate
CID 171733199
ethyl 2-oxo-1,3,5,6,7,8-hexahydropyrrolizine-3-carboxylate
CID 130432586
ethyl 1-cyclopentylaziridine-2-carboxylate
CID 117009956
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate?
The IUPAC name of ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate (CID 71328527) is ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate is CCOC(=O)C1CC(=O)N1O.
What is the InChIKey of ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate?
The InChIKey is ZWAROPMKLXLLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-2-11-6(9)4-3-5(8)7(4)10/h4,10H,2-3H2,1H3.
What are the key properties of ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate?
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate has a molecular weight of 159.14 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 71328527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).