(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

C6H7NO5 — CID 130192161

IUPAC(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCC(=O)N1C(=O)OC[C@H]1C(=O)O
InChIInChI=1S/C6H7NO5/c1-3(8)7-4(5(9)10)2-12-6(7)11/h4H,2H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyQOPOYTPWONIUOS-BYPYZUCNSA-N
MW173.12 g/mol
LogP-0.56
Rot. Bonds1

About (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid

(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 130192161) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID130192161
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCC(=O)N1C(=O)OC[C@H]1C(=O)O
InChIInChI=1S/C6H7NO5/c1-3(8)7-4(5(9)10)2-12-6(7)11/h4H,2H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyQOPOYTPWONIUOS-BYPYZUCNSA-N
XLogP-0.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 130192161) is (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is CC(=O)N1C(=O)OC[C@H]1C(=O)O.
What is the InChIKey of (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is QOPOYTPWONIUOS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NO5/c1-3(8)7-4(5(9)10)2-12-6(7)11/h4H,2H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid?
(4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 173.12 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 130192161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).