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

C6H10O2 — CID 10192561

IUPAC(1S)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C[C@@H]1C(=O)O
InChIInChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyBFNMOMYTTGHNGJ-SCSAIBSYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds1

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

(1S)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 10192561) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID10192561
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C[C@@H]1C(=O)O
InChIInChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyBFNMOMYTTGHNGJ-SCSAIBSYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 10192561) is (1S)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C[C@@H]1C(=O)O.
What is the InChIKey of (1S)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BFNMOMYTTGHNGJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (1S)-2,2-dimethylcyclopropane-1-carboxylic acid?
(1S)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 114.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10192561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).