methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

C19H19NO3 — CID 6449725

IUPACmethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO3/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/h2-13,17H,14H2,1H3,(H,20,21)/b13-12+/t17-/m0/s1
InChIKeyOKRWEGGCEZPSQB-UJGDBWEASA-N
MW309.37 g/mol
LogP2.60
Rot. Bonds6

About methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate (PubChem CID 6449725) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
PubChem CID6449725
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO3/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/h2-13,17H,14H2,1H3,(H,20,21)/b13-12+/t17-/m0/s1
InChIKeyOKRWEGGCEZPSQB-UJGDBWEASA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate (CID 6449725) is methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The InChIKey is OKRWEGGCEZPSQB-UJGDBWEASA-N. The full InChI is InChI=1S/C19H19NO3/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/h2-13,17H,14H2,1H3,(H,20,21)/b13-12+/t17-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate has a molecular weight of 309.37 g/mol, XLogP of 2.60, 6 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-[[(E)-3-phenylprop-2-enoyl]amino]propanoate is sourced from PubChem (CID 6449725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).