methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate

C12H15NO3 — CID 175669708

IUPACmethyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
SMILESCOC(=O)C(c1ccnc(OC)c1)C1CC1
InChIInChI=1S/C12H15NO3/c1-15-10-7-9(5-6-13-10)11(8-3-4-8)12(14)16-2/h5-8,11H,3-4H2,1-2H3
InChIKeyXXLVXXUHYMPFSV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate

methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate (PubChem CID 175669708) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
PubChem CID175669708
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
SMILESCOC(=O)C(c1ccnc(OC)c1)C1CC1
InChIInChI=1S/C12H15NO3/c1-15-10-7-9(5-6-13-10)11(8-3-4-8)12(14)16-2/h5-8,11H,3-4H2,1-2H3
InChIKeyXXLVXXUHYMPFSV-UHFFFAOYSA-N
XLogP1.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
methyl 2-(3-methylphenyl)-2-piperidin-4-ylacetate;hydrochloride
CID 154843186
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
CID 116682028
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
CID 170827843

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate (CID 175669708) is methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate is COC(=O)C(c1ccnc(OC)c1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate?
The InChIKey is XXLVXXUHYMPFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-7-9(5-6-13-10)11(8-3-4-8)12(14)16-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate?
methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate has a molecular weight of 221.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate is sourced from PubChem (CID 175669708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).