cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid

C12H12O4 — CID 70818190

IUPACcis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyPVARIGOXRLDYSP-ZJUUUORDSA-N
MW220.22 g/mol
LogP1.45
Rot. Bonds4

About cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 70818190) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID70818190
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namecis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
SMILESO=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyPVARIGOXRLDYSP-ZJUUUORDSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-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

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269
(1S,2R)-2-phenylmethoxycarbonylcyclopent-3-ene-1-carboxylic acid
CID 122382706
benzyl (1S,2S,4R)-4-ethyl-2-methylcyclohexane-1-carboxylate
CID 58431277

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid (CID 70818190) is cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid is O=C(OCc1ccccc1)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is PVARIGOXRLDYSP-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70818190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).