2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid

C5H7NO4 — CID 174974920

IUPAC2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)C1NCCO1
InChIInChI=1S/C5H7NO4/c7-3(5(8)9)4-6-1-2-10-4/h4,6H,1-2H2,(H,8,9)
InChIKeyUKXLXFDCMPZEJR-UHFFFAOYSA-N
MW145.11 g/mol
LogP-1.41
Rot. Bonds2

About 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid

2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid (PubChem CID 174974920) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
PubChem CID174974920
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)C1NCCO1
InChIInChI=1S/C5H7NO4/c7-3(5(8)9)4-6-1-2-10-4/h4,6H,1-2H2,(H,8,9)
InChIKeyUKXLXFDCMPZEJR-UHFFFAOYSA-N
XLogP-1.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
2-chloro-1-(1,3-oxazolidin-2-yl)ethanone
CID 23220108
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
(2S)-1,3-oxazinane-2-carboxylic acid
CID 142515360
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862
2-methyl-4-(1,3-oxazolidin-2-yl)pent-2-enoic acid
CID 67852972
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
morpholin-2-yl hydrogen carbonate
CID 70064874
2,3-dimethyl-2-(1,3-oxazolidin-2-yl)butanoic acid
CID 154159937
isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
CID 175012058
2-methylprop-2-enoic acid;3-(1,3-oxazolidin-2-yl)prop-1-en-1-ol
CID 67610429

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid?
The IUPAC name of 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid (CID 174974920) is 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid is O=C(O)C(=O)C1NCCO1.
What is the InChIKey of 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid?
The InChIKey is UKXLXFDCMPZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-3(5(8)9)4-6-1-2-10-4/h4,6H,1-2H2,(H,8,9).
What are the key properties of 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid?
2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid has a molecular weight of 145.11 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid is sourced from PubChem (CID 174974920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).