methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate

C19H21NO3 — CID 10244949

IUPACmethyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyITMGOEJLSLAEDI-KRWDZBQOSA-N
MW311.38 g/mol
LogP2.52
Rot. Bonds7

About methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate

methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate (PubChem CID 10244949) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
PubChem CID10244949
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyITMGOEJLSLAEDI-KRWDZBQOSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate (CID 10244949) is methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The InChIKey is ITMGOEJLSLAEDI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate has a molecular weight of 311.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoate is sourced from PubChem (CID 10244949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).