2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C13H20O3 — CID 106930023

IUPAC2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(COCC2CC2)CC2CCC1C2
InChIInChI=1S/C13H20O3/c14-12(15)13(8-16-7-9-1-2-9)6-10-3-4-11(13)5-10/h9-11H,1-8H2,(H,14,15)
InChIKeySJFVNMBAQVMLDC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.30
Rot. Bonds5

About 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106930023) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106930023
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(COCC2CC2)CC2CCC1C2
InChIInChI=1S/C13H20O3/c14-12(15)13(8-16-7-9-1-2-9)6-10-3-4-11(13)5-10/h9-11H,1-8H2,(H,14,15)
InChIKeySJFVNMBAQVMLDC-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98526129
2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739545
2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 55106818
2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80695104
2-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739889
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 55185786
2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79425674
2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolane-3-carboxylic acid
CID 106930065
(1S,2S,4S)-2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98208525
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 106930723

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 106930023) is 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(COCC2CC2)CC2CCC1C2.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is SJFVNMBAQVMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(15)13(8-16-7-9-1-2-9)6-10-3-4-11(13)5-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106930023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).