2-oxo-1,3-oxazolidine-4-carboxylic acid

C4H5NO4 — CID 13052096

IUPAC2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)O)CO1
InChIInChI=1S/C4H5NO4/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKeyXMFFFMBLTDERID-UHFFFAOYSA-N
MW131.09 g/mol
LogP-0.82
Rot. Bonds1

About 2-oxo-1,3-oxazolidine-4-carboxylic acid

2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 13052096) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID13052096
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)O)CO1
InChIInChI=1S/C4H5NO4/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKeyXMFFFMBLTDERID-UHFFFAOYSA-N
XLogP-0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 11412450
(4S)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052097
(s)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385463
(4R,5S)-5-Methyl-2-oxooxazolidine-4-carboxylic acid
CID 45084654
(2S)-3-hydroxy-2-(methoxycarbonylamino)propanoic acid
CID 28378112
(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13052098
3-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 21700121
5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 285712
Ethyl 2-oxo-1,3-oxazolidine-4-carboxylate
CID 538344
(S)-4-(Ethoxycarbonyl)oxazolidine-2-one
CID 12163241
(R)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385465
Methyl 2-oxooxazolidine-4-carboxylate
CID 500251

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 13052096) is 2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1,3-oxazolidine-4-carboxylic acid is O=C1NC(C(=O)O)CO1.
What is the InChIKey of 2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is XMFFFMBLTDERID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7).
What are the key properties of 2-oxo-1,3-oxazolidine-4-carboxylic acid?
2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 131.09 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 13052096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).