5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid

C19H21NO3 — CID 120547336

IUPAC5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,21)(H,22,23)
InChIKeyLJEMHEVAZIPUNT-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.82
Rot. Bonds8

About 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid (PubChem CID 120547336) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
PubChem CID120547336
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,21)(H,22,23)
InChIKeyLJEMHEVAZIPUNT-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid (CID 120547336) is 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid?
The InChIKey is LJEMHEVAZIPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(14-16-9-5-2-6-10-16)20-17(11-12-19(22)23)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,21)(H,22,23).
What are the key properties of 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid?
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid is sourced from PubChem (CID 120547336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).