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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Related Compounds

(2S,3R,4S)-4-amino-3-hydroxypyrrolidine-2-carboxylic acid
CID 11744767
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S,3R,4R)-4-amino-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 151892128
3-methylazetidine-2-carboxylic acid
CID 22326246
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 12851885
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
CID 75089596
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
CID 68541802
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
CID 67231854
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692

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).