methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate

C12H16N2O3 — CID 23654473

IUPACmethyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
SMILESCNCC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13-8-10(15)14-11(12(16)17-2)9-6-4-3-5-7-9/h3-7,11,13H,8H2,1-2H3,(H,14,15)
InChIKeySTYMYDLMOIMKMF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.24
Rot. Bonds5

About methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate

methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate (PubChem CID 23654473) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
PubChem CID23654473
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
SMILESCNCC(=O)NC(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13-8-10(15)14-11(12(16)17-2)9-6-4-3-5-7-9/h3-7,11,13H,8H2,1-2H3,(H,14,15)
InChIKeySTYMYDLMOIMKMF-UHFFFAOYSA-N
XLogP0.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300204
methyl 2-(3-methylpentanoylamino)-2-phenylacetate
CID 85168075
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
ethyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
CID 62114406
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate (CID 23654473) is methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate is CNCC(=O)NC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate?
The InChIKey is STYMYDLMOIMKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-8-10(15)14-11(12(16)17-2)9-6-4-3-5-7-9/h3-7,11,13H,8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate?
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate has a molecular weight of 236.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 23654473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).