2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid

C19H21NO3 — CID 46842238

IUPAC2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
SMILESCC(C)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(2)18(21)20-17(19(22)23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQMNJPFJLOSQLSZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid

2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid (PubChem CID 46842238) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
PubChem CID46842238
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
SMILESCC(C)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H21NO3/c1-13(2)18(21)20-17(19(22)23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQMNJPFJLOSQLSZ-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(2S)-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 25033280
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]azanium
CID 156619966
(2S)-2-[[(2S)-3-methyl-2-(phosphonomethylamino)butanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10071569
3-(3,4-dihydroxyphenyl)-2-(2-methylpropanoylamino)propanoic acid
CID 61069314
3-phenyl-2-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoic acid
CID 100996436
(2S)-2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
CID 22859218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid (CID 46842238) is 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid is CC(C)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is QMNJPFJLOSQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)18(21)20-17(19(22)23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid?
2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 46842238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).