cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid

C7H12O2 — CID 55301010

IUPACcis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C7H12O2/c1-4-5(6(8)9)7(4,2)3/h4-5H,1-3H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyDDZLZVXPBSNDAH-UHNVWZDZSA-N
MW128.17 g/mol
LogP1.36
Rot. Bonds1

About cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid

cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid (PubChem CID 55301010) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
PubChem CID55301010
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namecis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C7H12O2/c1-4-5(6(8)9)7(4,2)3/h4-5H,1-3H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyDDZLZVXPBSNDAH-UHNVWZDZSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid (CID 55301010) is cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid is C[C@@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
The InChIKey is DDZLZVXPBSNDAH-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-5(6(8)9)7(4,2)3/h4-5H,1-3H3,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid?
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid has a molecular weight of 128.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 55301010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).