3-[3-(pentanoylamino)phenyl]propanoic acid

C14H19NO3 — CID 28759634

IUPAC3-[3-(pentanoylamino)phenyl]propanoic acid
SMILESCCCCC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-2-3-7-13(16)15-12-6-4-5-11(10-12)8-9-14(17)18/h4-6,10H,2-3,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXLXHZDFSXIZIAC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.83
Rot. Bonds7

About 3-[3-(pentanoylamino)phenyl]propanoic acid

3-[3-(pentanoylamino)phenyl]propanoic acid (PubChem CID 28759634) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[3-(pentanoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(pentanoylamino)phenyl]propanoic acid
PubChem CID28759634
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[3-(pentanoylamino)phenyl]propanoic acid
SMILESCCCCC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-2-3-7-13(16)15-12-6-4-5-11(10-12)8-9-14(17)18/h4-6,10H,2-3,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyXLXHZDFSXIZIAC-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
3-[3-[4-(propan-2-ylamino)butanoylamino]phenyl]propanoic acid
CID 115339859
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628832
N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628833
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-(3-ethylphenyl)decanamide
CID 4053743
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pentanoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(pentanoylamino)phenyl]propanoic acid (CID 28759634) is 3-[3-(pentanoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(pentanoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(pentanoylamino)phenyl]propanoic acid is CCCCC(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-(pentanoylamino)phenyl]propanoic acid?
The InChIKey is XLXHZDFSXIZIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-7-13(16)15-12-6-4-5-11(10-12)8-9-14(17)18/h4-6,10H,2-3,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[3-(pentanoylamino)phenyl]propanoic acid?
3-[3-(pentanoylamino)phenyl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pentanoylamino)phenyl]propanoic acid is sourced from PubChem (CID 28759634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).