4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid

C19H19NO4 — CID 108796178

IUPAC4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
SMILESO=C(CCCC(=O)c1ccccc1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H19NO4/c21-17(15-5-2-1-3-6-15)7-4-8-18(22)20-13-14-9-11-16(12-10-14)19(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,20,22)(H,23,24)
InChIKeyYCGZBOYSWSWMLR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.05
Rot. Bonds8

About 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid

4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid (PubChem CID 108796178) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
PubChem CID108796178
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
SMILESO=C(CCCC(=O)c1ccccc1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H19NO4/c21-17(15-5-2-1-3-6-15)7-4-8-18(22)20-13-14-9-11-16(12-10-14)19(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,20,22)(H,23,24)
InChIKeyYCGZBOYSWSWMLR-UHFFFAOYSA-N
XLogP3.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
CID 119165562
4-(benzamidomethyl)benzoic acid
CID 10879683
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide
CID 47056810
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid (CID 108796178) is 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid is O=C(CCCC(=O)c1ccccc1)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid?
The InChIKey is YCGZBOYSWSWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-17(15-5-2-1-3-6-15)7-4-8-18(22)20-13-14-9-11-16(12-10-14)19(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,20,22)(H,23,24).
What are the key properties of 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid?
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 108796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).