trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid

C12H14O3 — CID 86340040

IUPACtrans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14)11-6-10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyFYOFPRGAVPMDRY-GHMZBOCLSA-N
MW206.24 g/mol
LogP1.92
Rot. Bonds5

About trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid

trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 86340040) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
PubChem CID86340040
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nametrans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14)11-6-10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyFYOFPRGAVPMDRY-GHMZBOCLSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-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

Related Compounds

ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
cis-(1S,2S)-N-(5-bromopyrazin-2-yl)-2-(phenylmethoxymethyl)cyclopropane-1-carboxamide
CID 125471412
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid (CID 86340040) is trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1COCc1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is FYOFPRGAVPMDRY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)11-6-10(11)8-15-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid?
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 86340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).