3-[4-(pentanoylamino)phenyl]butanoic acid

C15H21NO3 — CID 113419992

IUPAC3-[4-(pentanoylamino)phenyl]butanoic acid
SMILESCCCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-3-4-5-14(17)16-13-8-6-12(7-9-13)11(2)10-15(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKNZIRKLHLUMQBE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.39
Rot. Bonds7

About 3-[4-(pentanoylamino)phenyl]butanoic acid

3-[4-(pentanoylamino)phenyl]butanoic acid (PubChem CID 113419992) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(pentanoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(pentanoylamino)phenyl]butanoic acid
PubChem CID113419992
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[4-(pentanoylamino)phenyl]butanoic acid
SMILESCCCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-3-4-5-14(17)16-13-8-6-12(7-9-13)11(2)10-15(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKNZIRKLHLUMQBE-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid
CID 113419998
3-[4-(2-aminohexanoylamino)phenyl]butanoic acid
CID 104503078
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N-[4-(1-aminoethyl)phenyl]nonanamide
CID 65449674
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pentanoylamino)phenyl]butanoic acid?
The IUPAC name of 3-[4-(pentanoylamino)phenyl]butanoic acid (CID 113419992) is 3-[4-(pentanoylamino)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(pentanoylamino)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(pentanoylamino)phenyl]butanoic acid is CCCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(pentanoylamino)phenyl]butanoic acid?
The InChIKey is KNZIRKLHLUMQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-4-5-14(17)16-13-8-6-12(7-9-13)11(2)10-15(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[4-(pentanoylamino)phenyl]butanoic acid?
3-[4-(pentanoylamino)phenyl]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pentanoylamino)phenyl]butanoic acid is sourced from PubChem (CID 113419992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).