trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid

C11H12O2 — CID 90197336

IUPACtrans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/t9-,11+/m1/s1
InChIKeyUXLNWWCUHTZUTE-KOLCDFICSA-N
MW176.22 g/mol
LogP2.26
Rot. Bonds2

About trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 90197336) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID90197336
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Nametrans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/t9-,11+/m1/s1
InChIKeyUXLNWWCUHTZUTE-KOLCDFICSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2R)-1-methyl-2-phenylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid (CID 90197336) is trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid is C[C@]1(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is UXLNWWCUHTZUTE-KOLCDFICSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(10(12)13)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)/t9-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 176.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 90197336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).