5-anilino-5-oxo-3-phenylpentanoic acid

C17H17NO3 — CID 2812279

IUPAC5-anilino-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(18-15-9-5-2-6-10-15)11-14(12-17(20)21)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,18,19)(H,20,21)
InChIKeyLWVPSRDHBFOQJE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds6

About 5-anilino-5-oxo-3-phenylpentanoic acid

5-anilino-5-oxo-3-phenylpentanoic acid (PubChem CID 2812279) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-anilino-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-anilino-5-oxo-3-phenylpentanoic acid
PubChem CID2812279
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-anilino-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(18-15-9-5-2-6-10-15)11-14(12-17(20)21)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,18,19)(H,20,21)
InChIKeyLWVPSRDHBFOQJE-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
(3S)-5-[3-(methoxymethyl)anilino]-5-oxo-3-phenylpentanoic acid
CID 100816000
4-[[(3S)-4-carboxylato-3-phenylbutanoyl]amino]benzoate
CID 7381701
(3S)-5-oxo-3-phenyl-5-(4-phenylanilino)pentanoate
CID 7189553
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
3-(4-fluorophenyl)-5-oxo-5-(4-pyrrol-1-ylanilino)pentanoic acid
CID 91953110
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 2039739
(3R)-5-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-5-oxo-3-phenylpentanoic acid
CID 40583056
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165

Frequently Asked Questions

What is the IUPAC name of 5-anilino-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-anilino-5-oxo-3-phenylpentanoic acid (CID 2812279) is 5-anilino-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-anilino-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-anilino-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 5-anilino-5-oxo-3-phenylpentanoic acid?
The InChIKey is LWVPSRDHBFOQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(18-15-9-5-2-6-10-15)11-14(12-17(20)21)13-7-3-1-4-8-13/h1-10,14H,11-12H2,(H,18,19)(H,20,21).
What are the key properties of 5-anilino-5-oxo-3-phenylpentanoic acid?
5-anilino-5-oxo-3-phenylpentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).