azetidine-2-carboxylic acid

C4H7NO2 — CID 17288

IUPACazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyIADUEWIQBXOCDZ-UHFFFAOYSA-N
MW101.11 g/mol
LogP-0.57
Rot. Bonds1

About azetidine-2-carboxylic acid

azetidine-2-carboxylic acid (PubChem CID 17288) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is azetidine-2-carboxylic acid.

Molecular Properties

Compound Nameazetidine-2-carboxylic acid
PubChem CID17288
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Nameazetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyIADUEWIQBXOCDZ-UHFFFAOYSA-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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Related Compounds

2-Azetidinecarboxylic acid, (S)-
CID 16486
Nicotianamine
CID 9882882
2-Azetidinecarboxylic acid, (+)-
CID 637601
cis-Azetidine-2,4-dicarboxylic acid
CID 2733517
trans-Azetidine-2,4-dicarboxylic acid
CID 6604769
Azetidine-2-carboxylate
CID 5248351
(2S)-4-oxoazetidine-2-carboxylic acid
CID 13469007
(s)-Azetidine-2-carboxylate
CID 11862171
Azetidine-2,4-dicarboxylic acid
CID 124432
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
CID 3450503
4-Oxoazetidine-2-carboxylic acid
CID 3488064
4-Methylazetidine-2-carboxylic acid
CID 336073

Frequently Asked Questions

What is the IUPAC name of azetidine-2-carboxylic acid?
The IUPAC name of azetidine-2-carboxylic acid (CID 17288) is azetidine-2-carboxylic acid.
What is the SMILES notation for azetidine-2-carboxylic acid?
The canonical SMILES for azetidine-2-carboxylic acid is O=C(O)C1CCN1.
What is the InChIKey of azetidine-2-carboxylic acid?
The InChIKey is IADUEWIQBXOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of azetidine-2-carboxylic acid?
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 azetidine-2-carboxylic acid is sourced from PubChem (CID 17288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).