2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid

C12H15NO4 — CID 82345029

IUPAC2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
SMILESCOC(=O)C(c1ccccc1)N(C)CC(=O)O
InChIInChI=1S/C12H15NO4/c1-13(8-10(14)15)11(12(16)17-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyYRGORCLSQIZMIH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid

2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid (PubChem CID 82345029) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
PubChem CID82345029
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
SMILESCOC(=O)C(c1ccccc1)N(C)CC(=O)O
InChIInChI=1S/C12H15NO4/c1-13(8-10(14)15)11(12(16)17-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyYRGORCLSQIZMIH-UHFFFAOYSA-N
XLogP0.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-2-(4-bromophenyl)acetate
CID 95771276
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methyl (2R)-2-[methyl-(3-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 95772953
2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
CID 84748660
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-[[2-amino-1-[4-(dimethylamino)phenyl]-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84758204
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
CID 56582607
2-[[2-amino-1-(3,4-dimethoxyphenyl)-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84749604

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid (CID 82345029) is 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid is COC(=O)C(c1ccccc1)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid?
The InChIKey is YRGORCLSQIZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(8-10(14)15)11(12(16)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-oxo-1-phenylethyl)-methylamino]acetic acid?
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid is sourced from PubChem (CID 82345029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).