methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate

C13H19NO3 — CID 65235293

IUPACmethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
SMILESCCOc1cccc(C(CC(=O)OC)NC)c1
InChIInChI=1S/C13H19NO3/c1-4-17-11-7-5-6-10(8-11)12(14-2)9-13(15)16-3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyHXGWHHHWDHCWGS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate

methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate (PubChem CID 65235293) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
PubChem CID65235293
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
SMILESCCOc1cccc(C(CC(=O)OC)NC)c1
InChIInChI=1S/C13H19NO3/c1-4-17-11-7-5-6-10(8-11)12(14-2)9-13(15)16-3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyHXGWHHHWDHCWGS-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
methyl 3-[3-(difluoromethyl)phenyl]-3-(methylamino)propanoate
CID 115529790
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate (CID 65235293) is methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate is CCOc1cccc(C(CC(=O)OC)NC)c1.
What is the InChIKey of methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
The InChIKey is HXGWHHHWDHCWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-11-7-5-6-10(8-11)12(14-2)9-13(15)16-3/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate?
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 65235293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).