(2R,3S)-azetidine-2,3-dicarboxylic acid

C5H7NO4 — CID 11400846

IUPAC(2R,3S)-azetidine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1CN[C@H]1C(=O)O
InChIInChI=1S/C5H7NO4/c7-4(8)2-1-6-3(2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1
InChIKeyBLLPFMQOLSYTBX-STHAYSLISA-N
MW145.11 g/mol
LogP-1.26
Rot. Bonds2

About (2R,3S)-azetidine-2,3-dicarboxylic acid

(2R,3S)-azetidine-2,3-dicarboxylic acid (PubChem CID 11400846) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2R,3S)-azetidine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-azetidine-2,3-dicarboxylic acid
PubChem CID11400846
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2R,3S)-azetidine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1CN[C@H]1C(=O)O
InChIInChI=1S/C5H7NO4/c7-4(8)2-1-6-3(2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1
InChIKeyBLLPFMQOLSYTBX-STHAYSLISA-N
XLogP-1.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-azetidine-2,3-dicarboxylic 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 (2R,3S)-azetidine-2,3-dicarboxylic acid?
The IUPAC name of (2R,3S)-azetidine-2,3-dicarboxylic acid (CID 11400846) is (2R,3S)-azetidine-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-azetidine-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3S)-azetidine-2,3-dicarboxylic acid is O=C(O)[C@H]1CN[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-azetidine-2,3-dicarboxylic acid?
The InChIKey is BLLPFMQOLSYTBX-STHAYSLISA-N. The full InChI is InChI=1S/C5H7NO4/c7-4(8)2-1-6-3(2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1.
What are the key properties of (2R,3S)-azetidine-2,3-dicarboxylic acid?
(2R,3S)-azetidine-2,3-dicarboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-azetidine-2,3-dicarboxylic acid is sourced from PubChem (CID 11400846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).