1,3-oxazolidine-4-carboxylic acid

C4H7NO3 — CID 4055113

IUPAC1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COCN1
InChIInChI=1S/C4H7NO3/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyXFZIPCXDWCWTCH-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.98
Rot. Bonds1

About 1,3-oxazolidine-4-carboxylic acid

1,3-oxazolidine-4-carboxylic acid (PubChem CID 4055113) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-oxazolidine-4-carboxylic acid
PubChem CID4055113
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COCN1
InChIInChI=1S/C4H7NO3/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyXFZIPCXDWCWTCH-UHFFFAOYSA-N
XLogP-0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 1,3-oxazolidine-4-carboxylic acid (CID 4055113) is 1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COCN1.
What is the InChIKey of 1,3-oxazolidine-4-carboxylic acid?
The InChIKey is XFZIPCXDWCWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of 1,3-oxazolidine-4-carboxylic acid?
1,3-oxazolidine-4-carboxylic acid has a molecular weight of 117.10 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 4055113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).