methyl 2-cyclopropyl-2-phenylpropanoate

C13H16O2 — CID 131845988

IUPACmethyl 2-cyclopropyl-2-phenylpropanoate
SMILESCOC(=O)C(C)(c1ccccc1)C1CC1
InChIInChI=1S/C13H16O2/c1-13(11-8-9-11,12(14)15-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyGJVJTBVBUIYDFW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.53
Rot. Bonds3

About methyl 2-cyclopropyl-2-phenylpropanoate

methyl 2-cyclopropyl-2-phenylpropanoate (PubChem CID 131845988) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-phenylpropanoate
PubChem CID131845988
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 2-cyclopropyl-2-phenylpropanoate
SMILESCOC(=O)C(C)(c1ccccc1)C1CC1
InChIInChI=1S/C13H16O2/c1-13(11-8-9-11,12(14)15-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyGJVJTBVBUIYDFW-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-cyclopropyl-2-phenylpropanoate 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

methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 3-cyclopropyl-3-hydroxy-2-methyl-3-phenylpropanoate
CID 62393481
[(3R)-1,1-dimethylpiperidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-phenylpropanoate
CID 11998262
methyl 3-methyl-2-phenyl-2-silylbutanoate
CID 174683838
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-phenylpropanoate?
The IUPAC name of methyl 2-cyclopropyl-2-phenylpropanoate (CID 131845988) is methyl 2-cyclopropyl-2-phenylpropanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-phenylpropanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-phenylpropanoate is COC(=O)C(C)(c1ccccc1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-phenylpropanoate?
The InChIKey is GJVJTBVBUIYDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(11-8-9-11,12(14)15-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-phenylpropanoate?
methyl 2-cyclopropyl-2-phenylpropanoate has a molecular weight of 204.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-phenylpropanoate is sourced from PubChem (CID 131845988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).