ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate

C13H20N2O4 — CID 103172348

IUPACethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1nccc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-5-19-13(16)9(2)15-8-10-12(18-4)11(17-3)6-7-14-10/h6-7,9,15H,5,8H2,1-4H3
InChIKeyQHAXMCZZXGGMLU-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.14
Rot. Bonds7

About ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate

ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate (PubChem CID 103172348) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
PubChem CID103172348
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1nccc(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-5-19-13(16)9(2)15-8-10-12(18-4)11(17-3)6-7-14-10/h6-7,9,15H,5,8H2,1-4H3
InChIKeyQHAXMCZZXGGMLU-UHFFFAOYSA-N
XLogP1.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 103172328
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
(1S)-1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172619
1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172357
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
(1S)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103172621
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
methyl 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-2-methylpropanoate
CID 103172037
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxypropan-2-amine
CID 106180582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate (CID 103172348) is ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate is CCOC(=O)C(C)NCc1nccc(OC)c1OC.
What is the InChIKey of ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate?
The InChIKey is QHAXMCZZXGGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-19-13(16)9(2)15-8-10-12(18-4)11(17-3)6-7-14-10/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate?
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 103172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).