(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid

C8H12O2 — CID 14143356

IUPAC(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]2C[C@H]21
InChIInChI=1S/C8H12O2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-7H,1-4H2,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyGLXHXEBIYOIZKX-RRKCRQDMSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds1

About (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid

(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid (PubChem CID 14143356) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
PubChem CID14143356
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]2C[C@H]21
InChIInChI=1S/C8H12O2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-7H,1-4H2,(H,9,10)/t5-,6+,7+/m0/s1
InChIKeyGLXHXEBIYOIZKX-RRKCRQDMSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
2-cyclononylcyclohexane-1,4-dicarboxylic acid
CID 139878534
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
CID 81021365
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739
2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81008287
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81020677

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid (CID 14143356) is (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid is O=C(O)[C@@H]1CCC[C@H]2C[C@H]21.
What is the InChIKey of (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid?
The InChIKey is GLXHXEBIYOIZKX-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-7H,1-4H2,(H,9,10)/t5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid?
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid is sourced from PubChem (CID 14143356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).