(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid

C10H14O2 — CID 7333324

IUPAC(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(C1CC1)C1CC1
InChIInChI=1S/C10H14O2/c11-9(12)8-5-10(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2,(H,11,12)/t8-/m1/s1
InChIKeyLAIUQHIEFSCKNI-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds3

About (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid

(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid (PubChem CID 7333324) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
PubChem CID7333324
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(C1CC1)C1CC1
InChIInChI=1S/C10H14O2/c11-9(12)8-5-10(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2,(H,11,12)/t8-/m1/s1
InChIKeyLAIUQHIEFSCKNI-MRVPVSSYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
cyclopropane-1,1,2-tricarboxylic acid;trihydrochloride
CID 66750138
spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-3'-carboxylic acid
CID 127020148
2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
CID 62633940
2-bromo-1,1-dicyclopropylcyclopropane
CID 12542072
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid
CID 175836658
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid (CID 7333324) is (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1CC1(C1CC1)C1CC1.
What is the InChIKey of (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid?
The InChIKey is LAIUQHIEFSCKNI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9(12)8-5-10(8,6-1-2-6)7-3-4-7/h6-8H,1-5H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid?
(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 7333324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).