methyl (3S)-3-anilino-3-phenylpropanoate

C16H17NO2 — CID 10777401

IUPACmethyl (3S)-3-anilino-3-phenylpropanoate
SMILESCOC(=O)C[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-/m0/s1
InChIKeyRPZKFVJBHMVQHW-HNNXBMFYSA-N
MW255.32 g/mol
LogP3.40
Rot. Bonds5

About methyl (3S)-3-anilino-3-phenylpropanoate

methyl (3S)-3-anilino-3-phenylpropanoate (PubChem CID 10777401) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl (3S)-3-anilino-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-anilino-3-phenylpropanoate
PubChem CID10777401
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl (3S)-3-anilino-3-phenylpropanoate
SMILESCOC(=O)C[C@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-/m0/s1
InChIKeyRPZKFVJBHMVQHW-HNNXBMFYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
tert-butyl (3R)-3-anilino-3-phenylpropanoate
CID 134904442
methyl 5-anilino-5-phenylpentanoate
CID 11818425
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl (3R)-3-anilinobutanoate
CID 11333008
(E)-5-anilino-1-methoxy-5-phenylpent-1-en-3-one
CID 102290866
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-anilino-4-methylpentanoate
CID 86003942
methyl 4-anilino-3-oxo-4-phenylbutanoate
CID 15062728
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-anilino-3-phenylpropanoate?
The IUPAC name of methyl (3S)-3-anilino-3-phenylpropanoate (CID 10777401) is methyl (3S)-3-anilino-3-phenylpropanoate.
What is the SMILES notation for methyl (3S)-3-anilino-3-phenylpropanoate?
The canonical SMILES for methyl (3S)-3-anilino-3-phenylpropanoate is COC(=O)C[C@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (3S)-3-anilino-3-phenylpropanoate?
The InChIKey is RPZKFVJBHMVQHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)12-15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3/t15-/m0/s1.
What are the key properties of methyl (3S)-3-anilino-3-phenylpropanoate?
methyl (3S)-3-anilino-3-phenylpropanoate has a molecular weight of 255.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-anilino-3-phenylpropanoate is sourced from PubChem (CID 10777401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).