trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid

C12H14O2 — CID 70637110

IUPACtrans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyMHNILVJIEROMSM-ZYHUDNBSSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds3

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

trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 70637110) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID70637110
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nametrans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyMHNILVJIEROMSM-ZYHUDNBSSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid
CID 57163811
1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 174883213
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
CID 67468915
trans-(1S,2S)-2-[4-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-1-ethylcyclopropane-1-carboxylic acid
CID 66873202
trans-(1S,2R)-1-benzyl-2-(4-methoxycarbonylphenyl)cyclopropane-1-carboxylic acid
CID 146201513
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid (CID 70637110) is trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid is CC[C@@]1(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is MHNILVJIEROMSM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(11(13)14)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14)/t10-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70637110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).