2-hydroxyazetidine-3-carboxylic acid

C4H7NO3 — CID 126600821

IUPAC2-hydroxyazetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1O
InChIInChI=1S/C4H7NO3/c6-3-2(1-5-3)4(7)8/h2-3,5-6H,1H2,(H,7,8)
InChIKeyASKKBRJUHCOPNW-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.39
Rot. Bonds1

About 2-hydroxyazetidine-3-carboxylic acid

2-hydroxyazetidine-3-carboxylic acid (PubChem CID 126600821) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-hydroxyazetidine-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxyazetidine-3-carboxylic acid
PubChem CID126600821
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-hydroxyazetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1O
InChIInChI=1S/C4H7NO3/c6-3-2(1-5-3)4(7)8/h2-3,5-6H,1H2,(H,7,8)
InChIKeyASKKBRJUHCOPNW-UHFFFAOYSA-N
XLogP-1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyazetidine-3-carboxylic acid?
The IUPAC name of 2-hydroxyazetidine-3-carboxylic acid (CID 126600821) is 2-hydroxyazetidine-3-carboxylic acid.
What is the SMILES notation for 2-hydroxyazetidine-3-carboxylic acid?
The canonical SMILES for 2-hydroxyazetidine-3-carboxylic acid is O=C(O)C1CNC1O.
What is the InChIKey of 2-hydroxyazetidine-3-carboxylic acid?
The InChIKey is ASKKBRJUHCOPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c6-3-2(1-5-3)4(7)8/h2-3,5-6H,1H2,(H,7,8).
What are the key properties of 2-hydroxyazetidine-3-carboxylic acid?
2-hydroxyazetidine-3-carboxylic acid has a molecular weight of 117.10 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyazetidine-3-carboxylic acid is sourced from PubChem (CID 126600821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).