ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate

C15H22N2O4 — CID 10613723

IUPACethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H22N2O4/c1-6-20-13(18)10-11-8-7-9-12(16-11)17(5)14(19)21-15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyVIGSJCWKCFIKIZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.56
Rot. Bonds4

About ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate

ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate (PubChem CID 10613723) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate
PubChem CID10613723
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cccc(N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H22N2O4/c1-6-20-13(18)10-11-8-7-9-12(16-11)17(5)14(19)21-15(2,3)4/h7-9H,6,10H2,1-5H3
InChIKeyVIGSJCWKCFIKIZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate (CID 10613723) is ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate is CCOC(=O)Cc1cccc(N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate?
The InChIKey is VIGSJCWKCFIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-6-20-13(18)10-11-8-7-9-12(16-11)17(5)14(19)21-15(2,3)4/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate?
ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate has a molecular weight of 294.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]acetate is sourced from PubChem (CID 10613723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).