(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid

C12H14O2 — CID 67182121

IUPAC(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1CCc1ccccc1
InChIInChI=1S/C12H14O2/c13-12(14)11-8-10(11)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10?,11-/m1/s1
InChIKeyQUHLWNWRUXLNMR-RRKGBCIJSA-N
MW190.24 g/mol
LogP2.34
Rot. Bonds4

About (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid

(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid (PubChem CID 67182121) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
PubChem CID67182121
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC1CCc1ccccc1
InChIInChI=1S/C12H14O2/c13-12(14)11-8-10(11)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10?,11-/m1/s1
InChIKeyQUHLWNWRUXLNMR-RRKGBCIJSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83930573
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
2-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112717887
2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylic acid
CID 53426464
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
2-[2-[4-(3-pyrrol-1-ylphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130386903
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83931121

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid (CID 67182121) is (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1CC1CCc1ccccc1.
What is the InChIKey of (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid?
The InChIKey is QUHLWNWRUXLNMR-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(14)11-8-10(11)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10?,11-/m1/s1.
What are the key properties of (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid?
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67182121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).