azane;azetidine-3-carboxylic acid

C4H10N2O2 — CID 66877154

IUPACazane;azetidine-3-carboxylic acid
SMILESN.O=C(O)C1CNC1
InChIInChI=1S/C4H7NO2.H3N/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H3
InChIKeyIVGNAFFLGABKOV-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.55
Rot. Bonds1

About azane;azetidine-3-carboxylic acid

azane;azetidine-3-carboxylic acid (PubChem CID 66877154) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is azane;azetidine-3-carboxylic acid.

Molecular Properties

Compound Nameazane;azetidine-3-carboxylic acid
PubChem CID66877154
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Nameazane;azetidine-3-carboxylic acid
SMILESN.O=C(O)C1CNC1
InChIInChI=1S/C4H7NO2.H3N/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H3
InChIKeyIVGNAFFLGABKOV-UHFFFAOYSA-N
XLogP-0.55
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-azetidinecarboxylic Acid
CID 93192
2-Methyl-3-(methylamino)propanoic acid
CID 18404486
3-[(2-Methylpropyl)amino]propanoic acid
CID 16228510
Azetidine-3-carboxylic acid--hydrogen chloride (1/1)
CID 13374356
2-Methyl-3-(methylamino)propanoic acid hydrochloride
CID 47003060
3-Methylazetidine-3-carboxylic acid hydrochloride
CID 118989463
3-Fluoro-3-azetidinecarboxylic acid
CID 72208033
Azetidin-1-ium-3-carboxylate
CID 7019175
3-Aminoazetidine-3-carboxylic acid
CID 15024260
Azetidin-1-ium-3-carboxylic acid chloride
CID 134897429
3-Methylazetidine-3-carboxylic acid
CID 55303419
3-(Fluoromethyl)azetidine-3-carboxylic acid
CID 68032229

Frequently Asked Questions

What is the IUPAC name of azane;azetidine-3-carboxylic acid?
The IUPAC name of azane;azetidine-3-carboxylic acid (CID 66877154) is azane;azetidine-3-carboxylic acid.
What is the SMILES notation for azane;azetidine-3-carboxylic acid?
The canonical SMILES for azane;azetidine-3-carboxylic acid is N.O=C(O)C1CNC1.
What is the InChIKey of azane;azetidine-3-carboxylic acid?
The InChIKey is IVGNAFFLGABKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.H3N/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H3.
What are the key properties of azane;azetidine-3-carboxylic acid?
azane;azetidine-3-carboxylic acid has a molecular weight of 118.14 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;azetidine-3-carboxylic acid is sourced from PubChem (CID 66877154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).