2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid

C14H19NO4 — CID 62817918

IUPAC2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)ccc1C
InChIInChI=1S/C14H19NO4/c1-9-6-7-10(8-11(9)19-5)12(16)15(4)14(2,3)13(17)18/h6-8H,1-5H3,(H,17,18)
InChIKeyISSPDMCWASRXBQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid

2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62817918) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
PubChem CID62817918
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)ccc1C
InChIInChI=1S/C14H19NO4/c1-9-6-7-10(8-11(9)19-5)12(16)15(4)14(2,3)13(17)18/h6-8H,1-5H3,(H,17,18)
InChIKeyISSPDMCWASRXBQ-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(3-methoxy-4-methylbenzoyl)-methylamino]acetate
CID 52842366
4-(3-methoxy-4-methylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727267
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
CID 119200187
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120518687
2-[(3-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 103219075
2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818805
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
CID 119200444
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid (CID 62817918) is 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid is COc1cc(C(=O)N(C)C(C)(C)C(=O)O)ccc1C.
What is the InChIKey of 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is ISSPDMCWASRXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-7-10(8-11(9)19-5)12(16)15(4)14(2,3)13(17)18/h6-8H,1-5H3,(H,17,18).
What are the key properties of 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid?
2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62817918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).