azetidine-3-carboxylate

C4H6NO2- — CID 19814779

IUPACazetidine-3-carboxylate
SMILESO=C([O-])C1CNC1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)/p-1
InChIKeyGFZWHAAOIVMHOI-UHFFFAOYSA-M
MW100.10 g/mol
LogP-2.04
Rot. Bonds1

About azetidine-3-carboxylate

azetidine-3-carboxylate (PubChem CID 19814779) has the molecular formula C4H6NO2- and a molecular weight of 100.10 g/mol. Its IUPAC name is azetidine-3-carboxylate.

Molecular Properties

Compound Nameazetidine-3-carboxylate
PubChem CID19814779
Molecular FormulaC4H6NO2-
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Nameazetidine-3-carboxylate
SMILESO=C([O-])C1CNC1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)/p-1
InChIKeyGFZWHAAOIVMHOI-UHFFFAOYSA-M
XLogP-2.04
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidine-3-carboxylate;tert-butylazanium
CID 162190056
azetidine-3-carbonyl chloride
CID 154252527
azetidine-3-carbonyl azetidine-3-carboxylate
CID 57199777
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
bis(azetidine-3-carboxylic acid);sulfuric acid
CID 175702403
potassium aziridine-2-carboxylate
CID 23673795
azanium cyclobutanecarboxylate
CID 160775595
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
sodium oxetane-3-carboxylate
CID 177196661
cycloheptanecarboxylate;thallium(1+)
CID 22604442
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897

Frequently Asked Questions

What is the IUPAC name of azetidine-3-carboxylate?
The IUPAC name of azetidine-3-carboxylate (CID 19814779) is azetidine-3-carboxylate.
What is the SMILES notation for azetidine-3-carboxylate?
The canonical SMILES for azetidine-3-carboxylate is O=C([O-])C1CNC1.
What is the InChIKey of azetidine-3-carboxylate?
The InChIKey is GFZWHAAOIVMHOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)/p-1.
What are the key properties of azetidine-3-carboxylate?
azetidine-3-carboxylate has a molecular weight of 100.10 g/mol, XLogP of -2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-carboxylate is sourced from PubChem (CID 19814779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).