3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid

C17H17NO3 — CID 3055478

IUPAC3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid
SMILESCN(C(=O)c1ccccc1)c1ccccc1CCC(=O)O
InChIInChI=1S/C17H17NO3/c1-18(17(21)14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16(19)20/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyNJHZRMXLUVDSEK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.98
Rot. Bonds5

About 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid

3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid (PubChem CID 3055478) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid
PubChem CID3055478
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid
SMILESCN(C(=O)c1ccccc1)c1ccccc1CCC(=O)O
InChIInChI=1S/C17H17NO3/c1-18(17(21)14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16(19)20/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyNJHZRMXLUVDSEK-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-benzylacetamido)benzoicacid
CID 2311628
1-Cyclohexyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 2729105
2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
CID 10540941
4-[Acetyl(benzyl)amino]benzoic acid
CID 660409
1-Heptyl-4-oxoquinoline-3-carboxylic acid
CID 64267141
1-Octyl-4-oxoquinoline-3-carboxylic acid
CID 142567536
1-Oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylic acid
CID 1487869
3-{4-[(Phenylcarbonyl)amino]phenyl}propanoic acid
CID 17341529
2-[3-[(4-Tert-butylbenzoyl)amino]phenyl]acetic acid
CID 28759467
5-(N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)anilino)-5-oxopentanoic acid
CID 46879131
1-Nonyl-4-oxoquinoline-3-carboxylic acid
CID 155554801
1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 286421

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid (CID 3055478) is 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid is CN(C(=O)c1ccccc1)c1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid?
The InChIKey is NJHZRMXLUVDSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(17(21)14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-16(19)20/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid?
3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzoyl(methyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 3055478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).