4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid

C20H23NO3 — CID 120547076

IUPAC4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
SMILESCc1cccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1C
InChIInChI=1S/C20H23NO3/c1-14-7-6-10-18(15(14)2)20(24)21-17(11-12-19(22)23)13-16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWTYLHBYQQSETQE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.51
Rot. Bonds7

About 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid

4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid (PubChem CID 120547076) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
PubChem CID120547076
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
SMILESCc1cccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1C
InChIInChI=1S/C20H23NO3/c1-14-7-6-10-18(15(14)2)20(24)21-17(11-12-19(22)23)13-16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWTYLHBYQQSETQE-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
4-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546668
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid (CID 120547076) is 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid is Cc1cccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)c1C.
What is the InChIKey of 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid?
The InChIKey is WTYLHBYQQSETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-7-6-10-18(15(14)2)20(24)21-17(11-12-19(22)23)13-16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid?
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).