2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid

C12H15NO4 — CID 62098562

IUPAC2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
SMILESCOC(C(=O)N(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(8-10(14)15)12(16)11(17-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyNDTKHULRSUYPII-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid

2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid (PubChem CID 62098562) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
PubChem CID62098562
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
SMILESCOC(C(=O)N(C)CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-13(8-10(14)15)12(16)11(17-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyNDTKHULRSUYPII-UHFFFAOYSA-N
XLogP0.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511674
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenoxy-2-phenylacetamide
CID 94818236
N-(3-aminopropyl)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 62103976
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
CID 59883683
CID 59883683
(2R)-2-cyclopentyloxy-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 95601607

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid (CID 62098562) is 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid is COC(C(=O)N(C)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid?
The InChIKey is NDTKHULRSUYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(8-10(14)15)12(16)11(17-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid?
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid is sourced from PubChem (CID 62098562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).