2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid

C14H19NO4 — CID 61261172

IUPAC2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
SMILESCc1ccc(OC(C)C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9-5-7-11(8-6-9)19-10(2)12(16)15-14(3,4)13(17)18/h5-8,10H,1-4H3,(H,15,16)(H,17,18)
InChIKeyJXCYHIBGJKLJOW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid

2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid (PubChem CID 61261172) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
PubChem CID61261172
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid
SMILESCc1ccc(OC(C)C(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-9-5-7-11(8-6-9)19-10(2)12(16)15-14(3,4)13(17)18/h5-8,10H,1-4H3,(H,15,16)(H,17,18)
InChIKeyJXCYHIBGJKLJOW-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-phenoxypropanoylamino)propanoic acid
CID 61262074
2-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187898
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187453
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119598988
methyl 2-[2-(4-cyanophenoxy)propanoylamino]-2-methylpropanoate
CID 43074352
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid (CID 61261172) is 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid is Cc1ccc(OC(C)C(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid?
The InChIKey is JXCYHIBGJKLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-5-7-11(8-6-9)19-10(2)12(16)15-14(3,4)13(17)18/h5-8,10H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid?
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylphenoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 61261172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).