(2S)-azetidine-2-carboxylic acid

C4H7NO2 — CID 16486

IUPAC(2S)-azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyIADUEWIQBXOCDZ-VKHMYHEASA-N
MW101.11 g/mol
LogP-0.57
Rot. Bonds1

About (2S)-azetidine-2-carboxylic acid

(2S)-azetidine-2-carboxylic acid (PubChem CID 16486) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is (2S)-azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-azetidine-2-carboxylic acid
PubChem CID16486
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name(2S)-azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKeyIADUEWIQBXOCDZ-VKHMYHEASA-N
XLogP-0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-azetidine-2-carboxylic acid?
The IUPAC name of (2S)-azetidine-2-carboxylic acid (CID 16486) is (2S)-azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-azetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1.
What is the InChIKey of (2S)-azetidine-2-carboxylic acid?
The InChIKey is IADUEWIQBXOCDZ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1.
What are the key properties of (2S)-azetidine-2-carboxylic acid?
(2S)-azetidine-2-carboxylic acid has a molecular weight of 101.11 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-azetidine-2-carboxylic acid is sourced from PubChem (CID 16486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).