3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid

C18H19NO4 — CID 3237759

IUPAC3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-15-9-7-14(8-10-15)16(12-18(21)22)19-17(20)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGYEZAZIFHRSDBJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.57
Rot. Bonds7

About 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid

3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 3237759) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
PubChem CID3237759
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-15-9-7-14(8-10-15)16(12-18(21)22)19-17(20)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGYEZAZIFHRSDBJ-UHFFFAOYSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid (CID 3237759) is 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is GYEZAZIFHRSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-15-9-7-14(8-10-15)16(12-18(21)22)19-17(20)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid?
3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 3237759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).