trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid

C8H12O2 — CID 915452

IUPACtrans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@]1(C2CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C8H12O2/c1-8(5-2-3-5)4-6(8)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyUEHLZRCCIWVHBH-SVRRBLITSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds2

About trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid

trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid (PubChem CID 915452) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
PubChem CID915452
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nametrans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
SMILESC[C@@]1(C2CC2)C[C@@H]1C(=O)O
InChIInChI=1S/C8H12O2/c1-8(5-2-3-5)4-6(8)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyUEHLZRCCIWVHBH-SVRRBLITSA-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

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Related Compounds

cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
CID 62633940
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
CID 7333324
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 58749444
(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 70568002
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid (CID 915452) is trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid is C[C@@]1(C2CC2)C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is UEHLZRCCIWVHBH-SVRRBLITSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(5-2-3-5)4-6(8)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)/t6-,8+/m1/s1.
What are the key properties of trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-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 trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 915452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).