2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid

C15H21NO4 — CID 22111996

IUPAC2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)NC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO4/c1-9-8-11(20-5)6-7-12(9)10(2)13(17)16-15(3,4)14(18)19/h6-8,10H,1-5H3,(H,16,17)(H,18,19)
InChIKeyKDBDWOSKSYADFB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid

2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid (PubChem CID 22111996) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid
PubChem CID22111996
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid
SMILESCOc1ccc(C(C)C(=O)NC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO4/c1-9-8-11(20-5)6-7-12(9)10(2)13(17)16-15(3,4)14(18)19/h6-8,10H,1-5H3,(H,16,17)(H,18,19)
InChIKeyKDBDWOSKSYADFB-UHFFFAOYSA-N
XLogP2.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187898
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
methyl (2R)-2-amino-2-(4-methoxy-2-methylphenyl)acetate;hydrochloride
CID 171233443
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187453
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
2-(4-methoxy-2-methylphenyl)sulfanylpropanoic acid
CID 82023699
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 61262074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid (CID 22111996) is 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid is COc1ccc(C(C)C(=O)NC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid?
The InChIKey is KDBDWOSKSYADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-8-11(20-5)6-7-12(9)10(2)13(17)16-15(3,4)14(18)19/h6-8,10H,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid?
2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 22111996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).