methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate

C13H19NO3 — CID 106489257

IUPACmethyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
SMILESCCOCC(CN)(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-10-13(9-14,12(15)16-2)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyLLIDBYCRJBKHDZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds6

About methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate

methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate (PubChem CID 106489257) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
PubChem CID106489257
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
SMILESCCOCC(CN)(C(=O)OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-17-10-13(9-14,12(15)16-2)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyLLIDBYCRJBKHDZ-UHFFFAOYSA-N
XLogP1.09
TPSA61.55 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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
CID 142276862
ethyl 2-(aminomethyl)-2-phenyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706864
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
CID 106489227
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
methyl 2-(aminomethyl)-2-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706861
2-(aminomethyl)-3-ethoxy-2-(3-fluorophenyl)propanoic acid
CID 106490477
methyl 2-(aminomethyl)-5-ethoxy-2-(3-methylphenyl)pentanoate
CID 106509370
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate (CID 106489257) is methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate is CCOCC(CN)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate?
The InChIKey is LLIDBYCRJBKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-10-13(9-14,12(15)16-2)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate?
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate is sourced from PubChem (CID 106489257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).