(2S,4R)-azetidine-2,4-dicarboxylic acid

C5H7NO4 — CID 2733517

IUPAC(2S,4R)-azetidine-2,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)O)N1
InChIInChI=1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+
InChIKeyJMVIGOFRIJJUAW-WSOKHJQSSA-N
MW145.11 g/mol
LogP-1.11
Rot. Bonds2

About (2S,4R)-azetidine-2,4-dicarboxylic acid

(2S,4R)-azetidine-2,4-dicarboxylic acid (PubChem CID 2733517) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2S,4R)-azetidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-azetidine-2,4-dicarboxylic acid
PubChem CID2733517
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2S,4R)-azetidine-2,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)O)N1
InChIInChI=1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+
InChIKeyJMVIGOFRIJJUAW-WSOKHJQSSA-N
XLogP-1.11
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 ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-azetidine-2,4-dicarboxylic acid?
The IUPAC name of (2S,4R)-azetidine-2,4-dicarboxylic acid (CID 2733517) is (2S,4R)-azetidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-azetidine-2,4-dicarboxylic acid?
The canonical SMILES for (2S,4R)-azetidine-2,4-dicarboxylic acid is O=C(O)[C@@H]1C[C@H](C(=O)O)N1.
What is the InChIKey of (2S,4R)-azetidine-2,4-dicarboxylic acid?
The InChIKey is JMVIGOFRIJJUAW-WSOKHJQSSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+.
What are the key properties of (2S,4R)-azetidine-2,4-dicarboxylic acid?
(2S,4R)-azetidine-2,4-dicarboxylic acid has a molecular weight of 145.11 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-azetidine-2,4-dicarboxylic acid is sourced from PubChem (CID 2733517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).