3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid

C16H23NO4 — CID 82321051

IUPAC3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)15(18)17(9-12(4)16(19)20)13-8-11(3)6-7-14(13)21-5/h6-8,10,12H,9H2,1-5H3,(H,19,20)
InChIKeyHMKYGJTZYJJUFJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.71
Rot. Bonds6

About 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid

3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid (PubChem CID 82321051) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
PubChem CID82321051
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
SMILESCOc1ccc(C)cc1N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)15(18)17(9-12(4)16(19)20)13-8-11(3)6-7-14(13)21-5/h6-8,10,12H,9H2,1-5H3,(H,19,20)
InChIKeyHMKYGJTZYJJUFJ-UHFFFAOYSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxy-5-methyl-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319692
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
3-[3,4-dimethyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321017
2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321055
3-[2,4-difluoro-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321057
2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 133150456
(2S)-2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 100521538
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
3-[(2-methoxy-4-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006283

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid (CID 82321051) is 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid is COc1ccc(C)cc1N(CC(C)C(=O)O)C(=O)C(C)C.
What is the InChIKey of 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid?
The InChIKey is HMKYGJTZYJJUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10(2)15(18)17(9-12(4)16(19)20)13-8-11(3)6-7-14(13)21-5/h6-8,10,12H,9H2,1-5H3,(H,19,20).
What are the key properties of 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid?
3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-methyl-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 82321051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).