3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid

C12H19NO2 — CID 130806394

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CNC1
InChIInChI=1S/C12H19NO2/c14-11(15)12(6-13-7-12)5-10-4-8-1-2-9(10)3-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyWPRXFAGEMSSUEI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid

3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid (PubChem CID 130806394) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
PubChem CID130806394
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CNC1
InChIInChI=1S/C12H19NO2/c14-11(15)12(6-13-7-12)5-10-4-8-1-2-9(10)3-8/h8-10,13H,1-7H2,(H,14,15)
InChIKeyWPRXFAGEMSSUEI-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid with MolForge

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
CID 79557907
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-(2-bicyclo[2.2.1]heptanylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103724690
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570498
1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoropiperidine
CID 112562902
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
CID 79550569
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylcyclopentyl)ethanone
CID 115784897
[2-(2-bicyclo[2.2.1]heptanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 79550553

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid (CID 130806394) is 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid is O=C(O)C1(CC2CC3CCC2C3)CNC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid?
The InChIKey is WPRXFAGEMSSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(15)12(6-13-7-12)5-10-4-8-1-2-9(10)3-8/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid?
3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 130806394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).