methyl 2-(2-methoxyethylamino)-2-phenylpropanoate

C13H19NO3 — CID 62541706

IUPACmethyl 2-(2-methoxyethylamino)-2-phenylpropanoate
SMILESCOCCNC(C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(12(15)17-3,14-9-10-16-2)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyIYWBLFDHRINYKE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds6

About methyl 2-(2-methoxyethylamino)-2-phenylpropanoate

methyl 2-(2-methoxyethylamino)-2-phenylpropanoate (PubChem CID 62541706) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylamino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylamino)-2-phenylpropanoate
PubChem CID62541706
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(2-methoxyethylamino)-2-phenylpropanoate
SMILESCOCCNC(C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(12(15)17-3,14-9-10-16-2)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeyIYWBLFDHRINYKE-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 62540156
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541892
methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62540483
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylamino)-2-phenylpropanoate?
The IUPAC name of methyl 2-(2-methoxyethylamino)-2-phenylpropanoate (CID 62541706) is methyl 2-(2-methoxyethylamino)-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(2-methoxyethylamino)-2-phenylpropanoate?
The canonical SMILES for methyl 2-(2-methoxyethylamino)-2-phenylpropanoate is COCCNC(C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(2-methoxyethylamino)-2-phenylpropanoate?
The InChIKey is IYWBLFDHRINYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(12(15)17-3,14-9-10-16-2)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of methyl 2-(2-methoxyethylamino)-2-phenylpropanoate?
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylamino)-2-phenylpropanoate is sourced from PubChem (CID 62541706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).