2-[3-methoxypropanoyl(methyl)amino]benzoic acid

C12H15NO4 — CID 55023389

IUPAC2-[3-methoxypropanoyl(methyl)amino]benzoic acid
SMILESCOCCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-13(11(14)7-8-17-2)10-6-4-3-5-9(10)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMOQYCIADQFYABA-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.38
Rot. Bonds5

About 2-[3-methoxypropanoyl(methyl)amino]benzoic acid

2-[3-methoxypropanoyl(methyl)amino]benzoic acid (PubChem CID 55023389) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[3-methoxypropanoyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[3-methoxypropanoyl(methyl)amino]benzoic acid
PubChem CID55023389
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[3-methoxypropanoyl(methyl)amino]benzoic acid
SMILESCOCCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO4/c1-13(11(14)7-8-17-2)10-6-4-3-5-9(10)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyMOQYCIADQFYABA-UHFFFAOYSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
4-[2-[(3-methoxyphenyl)carbamoyl]-N-methylanilino]-4-oxobutanoic acid
CID 2398082
2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 45346953
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[[2-ethoxyethyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 63691296

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropanoyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[3-methoxypropanoyl(methyl)amino]benzoic acid (CID 55023389) is 2-[3-methoxypropanoyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[3-methoxypropanoyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[3-methoxypropanoyl(methyl)amino]benzoic acid is COCCC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[3-methoxypropanoyl(methyl)amino]benzoic acid?
The InChIKey is MOQYCIADQFYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(11(14)7-8-17-2)10-6-4-3-5-9(10)12(15)16/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methoxypropanoyl(methyl)amino]benzoic acid?
2-[3-methoxypropanoyl(methyl)amino]benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropanoyl(methyl)amino]benzoic acid is sourced from PubChem (CID 55023389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).