3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid

C14H17NO4 — CID 108796142

IUPAC3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12(11-5-2-1-3-6-11)7-4-8-13(17)15-10-9-14(18)19/h1-3,5-6H,4,7-10H2,(H,15,17)(H,18,19)
InChIKeyWQGXPLYQCQNNRJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.63
Rot. Bonds8

About 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid

3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid (PubChem CID 108796142) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
PubChem CID108796142
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c16-12(11-5-2-1-3-6-11)7-4-8-13(17)15-10-9-14(18)19/h1-3,5-6H,4,7-10H2,(H,15,17)(H,18,19)
InChIKeyWQGXPLYQCQNNRJ-UHFFFAOYSA-N
XLogP1.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178
2-[(5-oxo-5-phenylpentanoyl)amino]pentanedioic acid
CID 108796206
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
5-oxo-5-phenylpentanamide
CID 3787245
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid?
The IUPAC name of 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid (CID 108796142) is 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid is O=C(O)CCNC(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid?
The InChIKey is WQGXPLYQCQNNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(11-5-2-1-3-6-11)7-4-8-13(17)15-10-9-14(18)19/h1-3,5-6H,4,7-10H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid?
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 108796142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).