3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid

C15H21NO4 — CID 82321815

IUPAC3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid
SMILESCOCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1C
InChIInChI=1S/C15H21NO4/c1-10-6-5-7-13(12(10)3)16(14(17)9-20-4)8-11(2)15(18)19/h5-7,11H,8-9H2,1-4H3,(H,18,19)
InChIKeyABFHAKWKSHFOBP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds6

About 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid

3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid (PubChem CID 82321815) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid
PubChem CID82321815
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid
SMILESCOCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1C
InChIInChI=1S/C15H21NO4/c1-10-6-5-7-13(12(10)3)16(14(17)9-20-4)8-11(2)15(18)19/h5-7,11H,8-9H2,1-4H3,(H,18,19)
InChIKeyABFHAKWKSHFOBP-UHFFFAOYSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(2,2-dimethylpropanoyl)-2,3-dimethylanilino]-2-methylpropanoic acid
CID 82321106
3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
CID 82321836
3-[N-(2,2-dimethylpropanoyl)-2-methylanilino]-2-methylpropanoic acid
CID 82321121
3-(2-ethyl-6-methyl-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320927
2-[1-carboxyethyl-(2-methoxyacetyl)amino]-3-methylbenzoic acid
CID 117065479
3-[N-(1-carboxyethyl)-3-chloro-2-methylanilino]-2-methylpropanoic acid
CID 82317224
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703
3-[[2-(2-chloro-3-methylphenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111534
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
2-methyl-3-(N-(2-methylbenzoyl)anilino)propanoic acid
CID 82321588
N'-(2,2-diethoxyethyl)-N'-(2,3-dimethylphenyl)-N-methyloxamide
CID 131721071
3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
CID 82325734

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid (CID 82321815) is 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid is COCC(=O)N(CC(C)C(=O)O)c1cccc(C)c1C.
What is the InChIKey of 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid?
The InChIKey is ABFHAKWKSHFOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-6-5-7-13(12(10)3)16(14(17)9-20-4)8-11(2)15(18)19/h5-7,11H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid?
3-(N-(2-methoxyacetyl)-2,3-dimethylanilino)-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.00, 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)-2,3-dimethylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 82321815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).