[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate

C15H22O2 — CID 118311634

IUPAC[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
SMILESCC(C)[C@H](C)OC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13/h6-12H,1-5H3/t12-/m0/s1
InChIKeyFVRRYQNWKSJRSQ-LBPRGKRZSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds4

About [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate

[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate (PubChem CID 118311634) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
PubChem CID118311634
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
SMILESCC(C)[C@H](C)OC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22O2/c1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13/h6-12H,1-5H3/t12-/m0/s1
InChIKeyFVRRYQNWKSJRSQ-LBPRGKRZSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diaziridin-3-one;propan-2-yl 2-methyl-2-phenylpropanoate
CID 70622755
(1-ethoxy-1-hydroxy-3-methylbutan-2-yl) 2-methyl-2-phenylpropanoate
CID 126626056
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954590
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954401
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
CID 91481469
CID 91481469
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 7984717
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954499
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
benzamido 2-methyl-2-phenylpropanoate
CID 174594755

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate (CID 118311634) is [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate is CC(C)[C@H](C)OC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate?
The InChIKey is FVRRYQNWKSJRSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13/h6-12H,1-5H3/t12-/m0/s1.
What are the key properties of [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate?
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate has a molecular weight of 234.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 118311634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).