methyl (2S)-2-benzamido-3-phenylpropanoate

C17H17NO3 — CID 684239

IUPACmethyl (2S)-2-benzamido-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBRQQPHKRRCUYLA-HNNXBMFYSA-N
MW283.33 g/mol
LogP2.20
Rot. Bonds5

About methyl (2S)-2-benzamido-3-phenylpropanoate

methyl (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 684239) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-benzamido-3-phenylpropanoate
PubChem CID684239
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl (2S)-2-benzamido-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyBRQQPHKRRCUYLA-HNNXBMFYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dapt
CID 5311272
N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
(-)-cis-2-Benzamidocyclohexanecarboxylic Acid
CID 1268226
Npc171139
CID 9832120
Phenylacetyl-L-phenylalanine
CID 47579
Ethyl Hippurate
CID 226558
(2S)-3-methyl-2-(phenylformamido)butanoic acid
CID 730290
Asperphenamate
CID 173952
Benzoyl-L-phenylalanine
CID 97370
Aurantiamide Acetate
CID 10026486
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-benzamido-3-phenylpropanoate (CID 684239) is methyl (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-benzamido-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is BRQQPHKRRCUYLA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-17(20)15(12-13-8-4-2-5-9-13)18-16(19)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-benzamido-3-phenylpropanoate?
methyl (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 283.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 684239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).