cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid

C8H12O2 — CID 95788683

IUPACcis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C1CCC1
InChIInChI=1S/C8H12O2/c9-8(10)7-4-6(7)5-2-1-3-5/h5-7H,1-4H2,(H,9,10)/t6-,7+/m1/s1
InChIKeyOAPKUMLJROYWHA-RQJHMYQMSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds2

About cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid

cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid (PubChem CID 95788683) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
PubChem CID95788683
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C1CCC1
InChIInChI=1S/C8H12O2/c9-8(10)7-4-6(7)5-2-1-3-5/h5-7H,1-4H2,(H,9,10)/t6-,7+/m1/s1
InChIKeyOAPKUMLJROYWHA-RQJHMYQMSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186
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-carboxylic acid;manganese
CID 70185276
2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
CID 130542777
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 15748739
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid (CID 95788683) is cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C1CCC1.
What is the InChIKey of cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid?
The InChIKey is OAPKUMLJROYWHA-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)7-4-6(7)5-2-1-3-5/h5-7H,1-4H2,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 95788683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).