methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate

C11H16N2O3 — CID 63591109

IUPACmethyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
SMILESCCOc1cccc(NCCC(=O)OC)n1
InChIInChI=1S/C11H16N2O3/c1-3-16-10-6-4-5-9(13-10)12-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyWUYHSRUHSXIMQI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.46
Rot. Bonds6

About methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate

methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate (PubChem CID 63591109) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
PubChem CID63591109
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
SMILESCCOc1cccc(NCCC(=O)OC)n1
InChIInChI=1S/C11H16N2O3/c1-3-16-10-6-4-5-9(13-10)12-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13)
InChIKeyWUYHSRUHSXIMQI-UHFFFAOYSA-N
XLogP1.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate (CID 63591109) is methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate is CCOc1cccc(NCCC(=O)OC)n1.
What is the InChIKey of methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate?
The InChIKey is WUYHSRUHSXIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-10-6-4-5-9(13-10)12-8-7-11(14)15-2/h4-6H,3,7-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate?
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 63591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).