3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid

C20H23NO4 — CID 119165871

IUPAC3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
SMILESO=C(CCCOCc1ccccc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO4/c22-19(12-7-13-25-15-17-10-5-2-6-11-17)21-18(20(23)24)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,22)(H,23,24)
InChIKeyVHZXEEAKEBFXKN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.80
Rot. Bonds10

About 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid

3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid (PubChem CID 119165871) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
PubChem CID119165871
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
SMILESO=C(CCCOCc1ccccc1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H23NO4/c22-19(12-7-13-25-15-17-10-5-2-6-11-17)21-18(20(23)24)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,22)(H,23,24)
InChIKeyVHZXEEAKEBFXKN-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 170714569
(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
CID 11024167
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2S)-2-(hex-5-enoylamino)-3-phenylpropanoic acid
CID 119366534
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid (CID 119165871) is 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid is O=C(CCCOCc1ccccc1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The InChIKey is VHZXEEAKEBFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(12-7-13-25-15-17-10-5-2-6-11-17)21-18(20(23)24)14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,21,22)(H,23,24).
What are the key properties of 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid?
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid is sourced from PubChem (CID 119165871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).