2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid

C10H14O4 — CID 564809

IUPAC2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
SMILESCOC(=O)C1CC2CCC1C2C(=O)O
InChIInChI=1S/C10H14O4/c1-14-10(13)7-4-5-2-3-6(7)8(5)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)
InChIKeyRXCUMUCASMKTDM-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds2

About 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid

2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid (PubChem CID 564809) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
PubChem CID564809
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
SMILESCOC(=O)C1CC2CCC1C2C(=O)O
InChIInChI=1S/C10H14O4/c1-14-10(13)7-4-5-2-3-6(7)8(5)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)
InChIKeyRXCUMUCASMKTDM-UHFFFAOYSA-N
XLogP0.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid
CID 58339464
9-methoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 139970844
ethane;methyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 90923052
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid
CID 163457745
3,5,6-tris(methoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 20810647
methyl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tricyclo[5.2.1.02,6]decane
CID 90763273
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid?
The IUPAC name of 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid (CID 564809) is 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid is COC(=O)C1CC2CCC1C2C(=O)O.
What is the InChIKey of 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid?
The InChIKey is RXCUMUCASMKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-14-10(13)7-4-5-2-3-6(7)8(5)9(11)12/h5-8H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid?
2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid is sourced from PubChem (CID 564809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).