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

C4H5NO4 — CID 19965520

IUPAC5-oxo-1,3-oxazolidine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)O1
InChIInChI=1S/C4H5NO4/c6-2-1-5-3(9-2)4(7)8/h3,5H,1H2,(H,7,8)
InChIKeyHENRCTCAWNTGEM-UHFFFAOYSA-N
MW131.09 g/mol
LogP-1.46
Rot. Bonds1

About 5-oxo-1,3-oxazolidine-2-carboxylic acid

5-oxo-1,3-oxazolidine-2-carboxylic acid (PubChem CID 19965520) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 5-oxo-1,3-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1,3-oxazolidine-2-carboxylic acid
PubChem CID19965520
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name5-oxo-1,3-oxazolidine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)O1
InChIInChI=1S/C4H5NO4/c6-2-1-5-3(9-2)4(7)8/h3,5H,1H2,(H,7,8)
InChIKeyHENRCTCAWNTGEM-UHFFFAOYSA-N
XLogP-1.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolidine-2-carboxylic acid
CID 13419880
Oxaproline
CID 54004467
2-[2-(Carboxymethoxy)ethylamino]acetic acid
CID 10130202
2-(Hydroxymethyl)-1,3-oxazolidin-5-one
CID 20275903
2-(Carboxymethylamino)-2-ethoxyacetic acid
CID 22445367
2-Ethoxy-2-[(2-ethoxy-2-oxoethyl)amino]acetic acid
CID 23195085
(2R,5S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 53842554
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
Formic acid;1,3-oxazolidine-2-carboxylic acid
CID 69833606
5-Methyl-1,3-oxazolidine-2-carboxylic acid
CID 70147146
(2S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 70267078

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,3-oxazolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1,3-oxazolidine-2-carboxylic acid (CID 19965520) is 5-oxo-1,3-oxazolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1,3-oxazolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1,3-oxazolidine-2-carboxylic acid is O=C1CNC(C(=O)O)O1.
What is the InChIKey of 5-oxo-1,3-oxazolidine-2-carboxylic acid?
The InChIKey is HENRCTCAWNTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-2-1-5-3(9-2)4(7)8/h3,5H,1H2,(H,7,8).
What are the key properties of 5-oxo-1,3-oxazolidine-2-carboxylic acid?
5-oxo-1,3-oxazolidine-2-carboxylic acid has a molecular weight of 131.09 g/mol, XLogP of -1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,3-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 19965520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).