3-aminoazetidine-2-carboxylic acid

C4H8N2O2 — CID 23504294

IUPAC3-aminoazetidine-2-carboxylic acid
SMILESNC1CNC1C(=O)O
InChIInChI=1S/C4H8N2O2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1,5H2,(H,7,8)
InChIKeyMWVHXANQIOFTLQ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.63
Rot. Bonds1

About 3-aminoazetidine-2-carboxylic acid

3-aminoazetidine-2-carboxylic acid (PubChem CID 23504294) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-aminoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-aminoazetidine-2-carboxylic acid
PubChem CID23504294
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-aminoazetidine-2-carboxylic acid
SMILESNC1CNC1C(=O)O
InChIInChI=1S/C4H8N2O2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1,5H2,(H,7,8)
InChIKeyMWVHXANQIOFTLQ-UHFFFAOYSA-N
XLogP-1.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminoazetidine-2-carboxylic acid?
The IUPAC name of 3-aminoazetidine-2-carboxylic acid (CID 23504294) is 3-aminoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-aminoazetidine-2-carboxylic acid?
The canonical SMILES for 3-aminoazetidine-2-carboxylic acid is NC1CNC1C(=O)O.
What is the InChIKey of 3-aminoazetidine-2-carboxylic acid?
The InChIKey is MWVHXANQIOFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-2-1-6-3(2)4(7)8/h2-3,6H,1,5H2,(H,7,8).
What are the key properties of 3-aminoazetidine-2-carboxylic acid?
3-aminoazetidine-2-carboxylic acid has a molecular weight of 116.12 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoazetidine-2-carboxylic acid is sourced from PubChem (CID 23504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).