(4S)-1,3-oxazolidine-2,4-dicarboxylic acid

C5H7NO5 — CID 130642211

IUPAC(4S)-1,3-oxazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1N[C@H](C(=O)O)CO1
InChIInChI=1S/C5H7NO5/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1
InChIKeyQKZKUJFAJMKKPQ-SCQFTWEKSA-N
MW161.11 g/mol
LogP-1.53
Rot. Bonds2

About (4S)-1,3-oxazolidine-2,4-dicarboxylic acid

(4S)-1,3-oxazolidine-2,4-dicarboxylic acid (PubChem CID 130642211) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is (4S)-1,3-oxazolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(4S)-1,3-oxazolidine-2,4-dicarboxylic acid
PubChem CID130642211
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name(4S)-1,3-oxazolidine-2,4-dicarboxylic acid
SMILESO=C(O)C1N[C@H](C(=O)O)CO1
InChIInChI=1S/C5H7NO5/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1
InChIKeyQKZKUJFAJMKKPQ-SCQFTWEKSA-N
XLogP-1.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-oxazolidine-2,4-dicarboxylic acid?
The IUPAC name of (4S)-1,3-oxazolidine-2,4-dicarboxylic acid (CID 130642211) is (4S)-1,3-oxazolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (4S)-1,3-oxazolidine-2,4-dicarboxylic acid?
The canonical SMILES for (4S)-1,3-oxazolidine-2,4-dicarboxylic acid is O=C(O)C1N[C@H](C(=O)O)CO1.
What is the InChIKey of (4S)-1,3-oxazolidine-2,4-dicarboxylic acid?
The InChIKey is QKZKUJFAJMKKPQ-SCQFTWEKSA-N. The full InChI is InChI=1S/C5H7NO5/c7-4(8)2-1-11-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3?/m0/s1.
What are the key properties of (4S)-1,3-oxazolidine-2,4-dicarboxylic acid?
(4S)-1,3-oxazolidine-2,4-dicarboxylic acid has a molecular weight of 161.11 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3-oxazolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 130642211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).