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

C5H9NO3 — CID 24804855

IUPAC(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1N[C@H](C(=O)O)CO1
InChIInChI=1S/C5H9NO3/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1
InChIKeyDOJUZCVECUIHPV-BKLSDQPFSA-N
MW131.13 g/mol
LogP-0.59
Rot. Bonds1

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

(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 24804855) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID24804855
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1N[C@H](C(=O)O)CO1
InChIInChI=1S/C5H9NO3/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1
InChIKeyDOJUZCVECUIHPV-BKLSDQPFSA-N
XLogP-0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid (CID 24804855) is (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid is CC1N[C@H](C(=O)O)CO1.
What is the InChIKey of (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is DOJUZCVECUIHPV-BKLSDQPFSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3?,4-/m0/s1.
What are the key properties of (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid?
(4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 24804855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).