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

C21H24N2O4 — CID 120547172

IUPAC5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-19(14-17-9-5-2-6-10-17)22-15-20(25)23-18(11-12-21(26)27)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeyGMBCVUDYLYKMGF-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.94
Rot. Bonds10

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

5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120547172) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
PubChem CID120547172
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-19(14-17-9-5-2-6-10-17)22-15-20(25)23-18(11-12-21(26)27)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24)(H,23,25)(H,26,27)
InChIKeyGMBCVUDYLYKMGF-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
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
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-5-phenylpentanoic acid
CID 120690180
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid (CID 120547172) is 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is GMBCVUDYLYKMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19(14-17-9-5-2-6-10-17)22-15-20(25)23-18(11-12-21(26)27)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid?
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 368.43 g/mol, XLogP of 1.94, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120547172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).