4-[(4-acetylbenzoyl)-methylamino]butanoic acid

C14H17NO4 — CID 119172709

IUPAC4-[(4-acetylbenzoyl)-methylamino]butanoic acid
SMILESCC(=O)c1ccc(C(=O)N(C)CCCC(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15(2)9-3-4-13(17)18/h5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyURRDHHHOCHAXTJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.83
Rot. Bonds6

About 4-[(4-acetylbenzoyl)-methylamino]butanoic acid

4-[(4-acetylbenzoyl)-methylamino]butanoic acid (PubChem CID 119172709) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[(4-acetylbenzoyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-acetylbenzoyl)-methylamino]butanoic acid
PubChem CID119172709
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[(4-acetylbenzoyl)-methylamino]butanoic acid
SMILESCC(=O)c1ccc(C(=O)N(C)CCCC(=O)O)cc1
InChIInChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15(2)9-3-4-13(17)18/h5-8H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyURRDHHHOCHAXTJ-UHFFFAOYSA-N
XLogP1.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104
4-[8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl(methyl)amino]butanoic acid
CID 120513841
4-[1H-indole-6-carbonyl(methyl)amino]butanoic acid
CID 63749646
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
CID 119172965
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
4-[(4-ethyl-3-methylsulfonylbenzoyl)-methylamino]butanoic acid
CID 120513958
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
3-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]propanoic acid
CID 60989210

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylbenzoyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-acetylbenzoyl)-methylamino]butanoic acid (CID 119172709) is 4-[(4-acetylbenzoyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-acetylbenzoyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-acetylbenzoyl)-methylamino]butanoic acid is CC(=O)c1ccc(C(=O)N(C)CCCC(=O)O)cc1.
What is the InChIKey of 4-[(4-acetylbenzoyl)-methylamino]butanoic acid?
The InChIKey is URRDHHHOCHAXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)11-5-7-12(8-6-11)14(19)15(2)9-3-4-13(17)18/h5-8H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(4-acetylbenzoyl)-methylamino]butanoic acid?
4-[(4-acetylbenzoyl)-methylamino]butanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylbenzoyl)-methylamino]butanoic acid is sourced from PubChem (CID 119172709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).