2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid

C19H21NO3 — CID 120686881

IUPAC2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
SMILESCC(C(=O)NC(c1ccccc1)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13(15-9-5-3-6-10-15)18(21)20-17(14(2)19(22)23)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,20,21)(H,22,23)
InChIKeyYNBUXGMKBWGWSR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.37
Rot. Bonds6

About 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid

2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid (PubChem CID 120686881) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
PubChem CID120686881
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
SMILESCC(C(=O)NC(c1ccccc1)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13(15-9-5-3-6-10-15)18(21)20-17(14(2)19(22)23)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,20,21)(H,22,23)
InChIKeyYNBUXGMKBWGWSR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
2-methyl-3-[2-(3-methylbutoxy)propanoylamino]-3-phenylpropanoic acid
CID 119219105
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395
3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219180
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373
2-methyl-3-[(4-methyl-1H-pyrrole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119219025
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid?
The IUPAC name of 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid (CID 120686881) is 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid is CC(C(=O)NC(c1ccccc1)C(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid?
The InChIKey is YNBUXGMKBWGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(15-9-5-3-6-10-15)18(21)20-17(14(2)19(22)23)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid?
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid is sourced from PubChem (CID 120686881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).