2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid

C24H24N2O3 — CID 121454810

IUPAC2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid
SMILESNC(Cc1ccc(C(=O)NCCc2ccccc2-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C24H24N2O3/c25-22(24(28)29)16-17-10-12-20(13-11-17)23(27)26-15-14-19-8-4-5-9-21(19)18-6-2-1-3-7-18/h1-13,22H,14-16,25H2,(H,26,27)(H,28,29)
InChIKeyBCLZGLVPOANACY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.28
Rot. Bonds8

About 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid

2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid (PubChem CID 121454810) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid
PubChem CID121454810
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid
SMILESNC(Cc1ccc(C(=O)NCCc2ccccc2-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C24H24N2O3/c25-22(24(28)29)16-17-10-12-20(13-11-17)23(27)26-15-14-19-8-4-5-9-21(19)18-6-2-1-3-7-18/h1-13,22H,14-16,25H2,(H,26,27)(H,28,29)
InChIKeyBCLZGLVPOANACY-UHFFFAOYSA-N
XLogP3.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid (CID 121454810) is 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid is NC(Cc1ccc(C(=O)NCCc2ccccc2-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid?
The InChIKey is BCLZGLVPOANACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c25-22(24(28)29)16-17-10-12-20(13-11-17)23(27)26-15-14-19-8-4-5-9-21(19)18-6-2-1-3-7-18/h1-13,22H,14-16,25H2,(H,26,27)(H,28,29).
What are the key properties of 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid?
2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid has a molecular weight of 388.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 121454810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).