acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate

C5H5NO6 — CID 163614732

IUPACacetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate
SMILESCC(=O)OC(=O)N1C(=O)OC1O
InChIInChI=1S/C5H5NO6/c1-2(7)11-3(8)6-4(9)12-5(6)10/h4,9H,1H3
InChIKeyHJADHPSJQWJLED-UHFFFAOYSA-N
MW175.10 g/mol
LogP-0.60
Rot. Bonds

About acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate

acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate (PubChem CID 163614732) has the molecular formula C5H5NO6 and a molecular weight of 175.10 g/mol. Its IUPAC name is acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate.

Molecular Properties

Compound Nameacetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate
PubChem CID163614732
Molecular FormulaC5H5NO6
Molecular Weight175.10 g/mol
Exact Mass175.01
IUPAC Nameacetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate
SMILESCC(=O)OC(=O)N1C(=O)OC1O
InChIInChI=1S/C5H5NO6/c1-2(7)11-3(8)6-4(9)12-5(6)10/h4,9H,1H3
InChIKeyHJADHPSJQWJLED-UHFFFAOYSA-N
XLogP-0.60
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R,5S)-4-methyl-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl] acetate
CID 154236104
CID 160689228
CID 160689228
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
(4S,5S)-3-acetyl-5-bromo-4-[(2-methylpropan-2-yl)oxy]-1,3-oxazolidin-2-one
CID 11208247
3-acetyl-4-chloro-5-(trichloromethyl)-1,3-oxazolidin-2-one
CID 13024480
(4R)-3-(3,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 170079652
(4S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 58831683
5-ethenyl-4-hydroxy-3-methyl-1,3-oxazolidin-2-one
CID 66588330
acetyl acetate;zinc;dihydrate
CID 174593639
acetyl acetate;carbanide;gold
CID 87857087
dicalcium;acetyl acetate;hydride
CID 174404063

Frequently Asked Questions

What is the IUPAC name of acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate?
The IUPAC name of acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate (CID 163614732) is acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate.
What is the SMILES notation for acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate?
The canonical SMILES for acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate is CC(=O)OC(=O)N1C(=O)OC1O.
What is the InChIKey of acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate?
The InChIKey is HJADHPSJQWJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6/c1-2(7)11-3(8)6-4(9)12-5(6)10/h4,9H,1H3.
What are the key properties of acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate?
acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate has a molecular weight of 175.10 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-hydroxy-4-oxo-1,3-oxazetidine-3-carboxylate is sourced from PubChem (CID 163614732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).