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

C13H20O3 — CID 79557907

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CCOC1
InChIInChI=1S/C13H20O3/c14-12(15)13(3-4-16-8-13)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15)
InChIKeyRFEBDBKGUPSZNI-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.30
Rot. Bonds3

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

3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid (PubChem CID 79557907) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
PubChem CID79557907
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC3CCC2C3)CCOC1
InChIInChI=1S/C13H20O3/c14-12(15)13(3-4-16-8-13)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15)
InChIKeyRFEBDBKGUPSZNI-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
CID 130806394
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892270
3-[(3,3-difluorocyclobutyl)methyl]oxolane-3-carboxylic acid
CID 131043344
[3-(2-bicyclo[2.2.1]heptanylmethyl)oxan-3-yl]methanamine
CID 103724691
1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
3-acetyl-3-(2-bicyclo[2.2.1]heptanylmethyl)oxolan-2-one
CID 103343809
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930033
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid (CID 79557907) is 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid is O=C(O)C1(CC2CC3CCC2C3)CCOC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid?
The InChIKey is RFEBDBKGUPSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(15)13(3-4-16-8-13)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,14,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid?
3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 79557907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).