methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate

C13H19NO3 — CID 60872757

IUPACmethyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
SMILESCCOc1cccc(CC(CN)C(=O)OC)c1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-5-10(8-12)7-11(9-14)13(15)16-2/h4-6,8,11H,3,7,9,14H2,1-2H3
InChIKeySESXJWUJDGDHQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.38
Rot. Bonds6

About methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate

methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate (PubChem CID 60872757) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
PubChem CID60872757
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
SMILESCCOc1cccc(CC(CN)C(=O)OC)c1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-5-10(8-12)7-11(9-14)13(15)16-2/h4-6,8,11H,3,7,9,14H2,1-2H3
InChIKeySESXJWUJDGDHQL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 107104840
methyl 2-(aminomethyl)-3-(3-methylphenyl)propanoate;hydrochloride
CID 50988546
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
methyl 2-(aminomethyl)-3-(3-methylsulfanylphenyl)propanoate
CID 156849132
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
methyl 2-[(3-ethoxyphenyl)methylamino]but-3-enoate
CID 114242471
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
CID 25418419

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate (CID 60872757) is methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate is CCOc1cccc(CC(CN)C(=O)OC)c1.
What is the InChIKey of methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate?
The InChIKey is SESXJWUJDGDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-12-6-4-5-10(8-12)7-11(9-14)13(15)16-2/h4-6,8,11H,3,7,9,14H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate?
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.38, 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-(3-ethoxyphenyl)propanoate is sourced from PubChem (CID 60872757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).