methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate

C11H14N2O4 — CID 168842871

IUPACmethyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2ncc(N)cc2OC)CC1
InChIInChI=1S/C11H14N2O4/c1-15-8-5-7(12)6-13-9(8)17-11(3-4-11)10(14)16-2/h5-6H,3-4,12H2,1-2H3
InChIKeyQUKXBNMSVPLMBI-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.76
Rot. Bonds4

About methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate

methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate (PubChem CID 168842871) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
PubChem CID168842871
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Oc2ncc(N)cc2OC)CC1
InChIInChI=1S/C11H14N2O4/c1-15-8-5-7(12)6-13-9(8)17-11(3-4-11)10(14)16-2/h5-6H,3-4,12H2,1-2H3
InChIKeyQUKXBNMSVPLMBI-UHFFFAOYSA-N
XLogP0.76
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate (CID 168842871) is methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate is COC(=O)C1(Oc2ncc(N)cc2OC)CC1.
What is the InChIKey of methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate?
The InChIKey is QUKXBNMSVPLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-15-8-5-7(12)6-13-9(8)17-11(3-4-11)10(14)16-2/h5-6H,3-4,12H2,1-2H3.
What are the key properties of methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate?
methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-amino-3-methoxy-2-pyridinyl)oxy]cyclopropane-1-carboxylate is sourced from PubChem (CID 168842871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).