ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate

C13H20N2O3 — CID 113371239

IUPACethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1OC(C)C
InChIInChI=1S/C13H20N2O3/c1-5-17-12(16)9-15(4)13-11(18-10(2)3)7-6-8-14-13/h6-8,10H,5,9H2,1-4H3
InChIKeyXXQBUJVDBVKWQS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.87
Rot. Bonds6

About ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate

ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate (PubChem CID 113371239) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
PubChem CID113371239
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncccc1OC(C)C
InChIInChI=1S/C13H20N2O3/c1-5-17-12(16)9-15(4)13-11(18-10(2)3)7-6-8-14-13/h6-8,10H,5,9H2,1-4H3
InChIKeyXXQBUJVDBVKWQS-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
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ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
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ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-[2-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]phenoxy]ethoxy]anilino]propanoate
CID 10461482
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate (CID 113371239) is ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate is CCOC(=O)CN(C)c1ncccc1OC(C)C.
What is the InChIKey of ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate?
The InChIKey is XXQBUJVDBVKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-17-12(16)9-15(4)13-11(18-10(2)3)7-6-8-14-13/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate?
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate is sourced from PubChem (CID 113371239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).