methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate

C14H18O2 — CID 146351173

IUPACmethyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C14H18O2/c1-10(14(15)16-2)13(12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyIFQUANZXVFJTSC-JLOHTSLTSA-N
MW218.30 g/mol
LogP2.99
Rot. Bonds4

About methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate

methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate (PubChem CID 146351173) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
PubChem CID146351173
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C14H18O2/c1-10(14(15)16-2)13(12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10?,13-/m1/s1
InChIKeyIFQUANZXVFJTSC-JLOHTSLTSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl 3-[3-[1-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropyl-2-methylpropanoate
CID 123456154
methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
CID 175237922
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
2-methyl-3-phenyl-3-piperidin-4-ylpropanamide
CID 174485434
methyl (2S,3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)-2-methylpropanoate
CID 90372421
methyl (2S)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)-2-methylpropanoate
CID 130294321
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl 3-cyclopropyl-3-[3-[(3-iodocyclobutyl)methoxy]phenyl]-2-methylpropanoate
CID 118296138
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate (CID 146351173) is methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate is COC(=O)C(C)[C@H](c1ccccc1)C1CC1.
What is the InChIKey of methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate?
The InChIKey is IFQUANZXVFJTSC-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(14(15)16-2)13(12-8-9-12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10?,13-/m1/s1.
What are the key properties of methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate?
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate has a molecular weight of 218.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 146351173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).