3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid

C14H19NO4 — CID 82321836

IUPAC3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
SMILESCOCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-10-5-4-6-12(7-10)15(13(16)9-19-3)8-11(2)14(17)18/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyMNWOLHHQKJQOAX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid

3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid (PubChem CID 82321836) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
PubChem CID82321836
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
SMILESCOCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1
InChIInChI=1S/C14H19NO4/c1-10-5-4-6-12(7-10)15(13(16)9-19-3)8-11(2)14(17)18/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyMNWOLHHQKJQOAX-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid
CID 82321815
2-methyl-3-(N-(3-methylbenzoyl)anilino)propanoic acid
CID 82321596
3-[3-chloro-N-(3-methylbutanoyl)anilino]-2-methylpropanoic acid
CID 82321380
2-methyl-3-[3-methyl-N-(2-methylprop-2-enyl)anilino]propanoic acid
CID 82319662
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
3-(N-acetyl-3,5-dimethylanilino)-2-methylpropanoic acid
CID 82320537
3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321051
2-[N-(1-carboxyethyl)-3-methylanilino]propanoic acid
CID 18692796
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-methyl-3-[N-(2-methylpropanoyl)-3-methylsulfanylanilino]propanoic acid
CID 82321053
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid (CID 82321836) is 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid is COCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1.
What is the InChIKey of 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid?
The InChIKey is MNWOLHHQKJQOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-4-6-12(7-10)15(13(16)9-19-3)8-11(2)14(17)18/h4-7,11H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid?
3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 82321836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).