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

C14H19NO4 — CID 113419998

IUPAC3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid
SMILESCOCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(9-14(17)18)11-3-5-12(6-4-11)15-13(16)7-8-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHTEMOMWLWYPCBF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.24
Rot. Bonds7

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

3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid (PubChem CID 113419998) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid
PubChem CID113419998
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid
SMILESCOCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-10(9-14(17)18)11-3-5-12(6-4-11)15-13(16)7-8-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHTEMOMWLWYPCBF-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992
3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
3-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]butanoic acid
CID 104503034
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
3-[4-(2-acetamidopropanoylamino)phenyl]butanoic acid
CID 104501839
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid?
The IUPAC name of 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid (CID 113419998) is 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid is COCCC(=O)Nc1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid?
The InChIKey is HTEMOMWLWYPCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(9-14(17)18)11-3-5-12(6-4-11)15-13(16)7-8-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid?
3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxypropanoylamino)phenyl]butanoic acid is sourced from PubChem (CID 113419998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).