4-hydroxy-1,2-oxazolidine-2-carboxylic acid

C4H7NO4 — CID 68770284

IUPAC4-hydroxy-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1CC(O)CO1
InChIInChI=1S/C4H7NO4/c6-3-1-5(4(7)8)9-2-3/h3,6H,1-2H2,(H,7,8)
InChIKeyQPGKULVZVUDNHL-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.73
Rot. Bonds

About 4-hydroxy-1,2-oxazolidine-2-carboxylic acid

4-hydroxy-1,2-oxazolidine-2-carboxylic acid (PubChem CID 68770284) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-hydroxy-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,2-oxazolidine-2-carboxylic acid
PubChem CID68770284
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name4-hydroxy-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1CC(O)CO1
InChIInChI=1S/C4H7NO4/c6-3-1-5(4(7)8)9-2-3/h3,6H,1-2H2,(H,7,8)
InChIKeyQPGKULVZVUDNHL-UHFFFAOYSA-N
XLogP-0.73
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1,2-oxazolidine-2-carboxylic acid (CID 68770284) is 4-hydroxy-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,2-oxazolidine-2-carboxylic acid is O=C(O)N1CC(O)CO1.
What is the InChIKey of 4-hydroxy-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is QPGKULVZVUDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3-1-5(4(7)8)9-2-3/h3,6H,1-2H2,(H,7,8).
What are the key properties of 4-hydroxy-1,2-oxazolidine-2-carboxylic acid?
4-hydroxy-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 133.10 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 68770284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).