3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid

C14H19NO4 — CID 55038053

IUPAC3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCOC(C(=O)N(C)CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(14(17)18)9-15(2)13(16)12(19-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18)
InChIKeyMHYBFAWHCYIBSO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.55
Rot. Bonds6

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

3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid (PubChem CID 55038053) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
PubChem CID55038053
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCOC(C(=O)N(C)CC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(14(17)18)9-15(2)13(16)12(19-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18)
InChIKeyMHYBFAWHCYIBSO-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
3-[2-anilinobutanoyl(methyl)amino]-2-methylpropanoic acid
CID 166239589
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819
2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511674
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 97191713

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid (CID 55038053) is 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid is COC(C(=O)N(C)CC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is MHYBFAWHCYIBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(14(17)18)9-15(2)13(16)12(19-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18).
What are the key properties of 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid?
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55038053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).