3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid

C14H19NO4 — CID 62590215

IUPAC3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
SMILESCOCCC(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C14H19NO4/c1-11-5-3-4-6-12(11)15(9-7-14(17)18)13(16)8-10-19-2/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyRJBNGHYKRILQSU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds7

About 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid

3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid (PubChem CID 62590215) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
PubChem CID62590215
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
SMILESCOCCC(=O)N(CCC(=O)O)c1ccccc1C
InChIInChI=1S/C14H19NO4/c1-11-5-3-4-6-12(11)15(9-7-14(17)18)13(16)8-10-19-2/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyRJBNGHYKRILQSU-UHFFFAOYSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
3-[N-(1-methoxypropan-2-ylcarbamoyl)-2-methylanilino]propanoic acid
CID 61183120
3-(N-(2-tert-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60831636
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-(2-methyl-N-(4-methylthiophene-3-carbonyl)anilino)propanoic acid
CID 79814984
3-(N-[2-(ethylamino)-2-methylpropanoyl]-2-methylanilino)propanoic acid
CID 62834411
3-(N-(2-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60832820
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
CID 55096511
3-(2-methyl-N-[2-(triazol-1-yl)acetyl]anilino)propanoic acid
CID 115348094
3-[N-(2,2-dimethylpropylcarbamoyl)-2-methylanilino]propanoic acid
CID 61209422

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid?
The IUPAC name of 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid (CID 62590215) is 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid.
What is the SMILES notation for 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid?
The canonical SMILES for 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid is COCCC(=O)N(CCC(=O)O)c1ccccc1C.
What is the InChIKey of 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid?
The InChIKey is RJBNGHYKRILQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-11-5-3-4-6-12(11)15(9-7-14(17)18)13(16)8-10-19-2/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid?
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid is sourced from PubChem (CID 62590215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).