ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate

C14H21NO4 — CID 43148320

IUPACethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(CN)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-4-19-14(16)11(9-15)8-10-6-5-7-12(17-2)13(10)18-3/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyHHELKGAEQYCSBS-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.38
Rot. Bonds7

About ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate

ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 43148320) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
PubChem CID43148320
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(CN)Cc1cccc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-4-19-14(16)11(9-15)8-10-6-5-7-12(17-2)13(10)18-3/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyHHELKGAEQYCSBS-UHFFFAOYSA-N
XLogP1.38
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-(aminomethyl)-3-(2-methoxyphenyl)-N-methylpropanamide
CID 62096110
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
2-chloro-1-(2,3-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184941
ethyl 2-(2,3-dimethoxyphenyl)-2-(ethylamino)acetate
CID 54918350
diethyl 2-[(2,3-dimethoxyphenyl)methyl]-2-pentylpropanedioate
CID 54069525
2-[(2-methoxy-3-methylphenyl)methyl]butanoic acid
CID 169488668
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate (CID 43148320) is ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate is CCOC(=O)C(CN)Cc1cccc(OC)c1OC.
What is the InChIKey of ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is HHELKGAEQYCSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-19-14(16)11(9-15)8-10-6-5-7-12(17-2)13(10)18-3/h5-7,11H,4,8-9,15H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate?
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 43148320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).