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

C14H19NO4 — CID 113425626

IUPAC2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
SMILESCOCCC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-15(13(16)8-10-19-2)9-7-11-5-3-4-6-12(11)14(17)18/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyOCCJAQSMUSNLNV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds7

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

2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid (PubChem CID 113425626) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
PubChem CID113425626
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
SMILESCOCCC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-15(13(16)8-10-19-2)9-7-11-5-3-4-6-12(11)14(17)18/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyOCCJAQSMUSNLNV-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl(3-methylsulfanylpropanoyl)amino]ethyl]benzoic acid
CID 104547060
2-[2-[(2-amino-3-methoxypropanoyl)-methylamino]ethyl]benzoic acid
CID 104548382
2-[2-[(5-amino-4-methylpentanoyl)-methylamino]ethyl]benzoic acid
CID 104548346
2-[2-[3-methoxypropylsulfonyl(methyl)amino]ethyl]benzoic acid
CID 104547120
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-[2-[methyl-(2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 104546869
2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
CID 104548350
2-[2-[but-2-ynoyl(methyl)amino]ethyl]benzoic acid
CID 107986971
2-[2-[[(E)-but-2-enoyl]-methylamino]ethyl]benzoic acid
CID 104546895
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid (CID 113425626) is 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid is COCCC(=O)N(C)CCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid?
The InChIKey is OCCJAQSMUSNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(13(16)8-10-19-2)9-7-11-5-3-4-6-12(11)14(17)18/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid?
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 113425626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).