ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate

C16H23NO3 — CID 71271320

IUPACethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OC(C)(C)C)C1c1ccc(C)cn1
InChIInChI=1S/C16H23NO3/c1-6-19-15(18)13-12(14(13)20-16(3,4)5)11-8-7-10(2)9-17-11/h7-9,12-14H,6H2,1-5H3
InChIKeyLSDVRWARRPAFCI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate

ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 71271320) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID71271320
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(OC(C)(C)C)C1c1ccc(C)cn1
InChIInChI=1S/C16H23NO3/c1-6-19-15(18)13-12(14(13)20-16(3,4)5)11-8-7-10(2)9-17-11/h7-9,12-14H,6H2,1-5H3
InChIKeyLSDVRWARRPAFCI-UHFFFAOYSA-N
XLogP2.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate (CID 71271320) is ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)C1C(OC(C)(C)C)C1c1ccc(C)cn1.
What is the InChIKey of ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is LSDVRWARRPAFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-19-15(18)13-12(14(13)20-16(3,4)5)11-8-7-10(2)9-17-11/h7-9,12-14H,6H2,1-5H3.
What are the key properties of ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate?
ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpropan-2-yl)oxy]-3-(5-methyl-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71271320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).