methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate

C11H14N2O3 — CID 164559034

IUPACmethyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-13-5-8(7-2-3-7)4-9(12)11(13)15/h4-5,7H,2-3,6,12H2,1H3
InChIKeyVFTGIGWIFWLOOU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate

methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate (PubChem CID 164559034) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate
PubChem CID164559034
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-13-5-8(7-2-3-7)4-9(12)11(13)15/h4-5,7H,2-3,6,12H2,1H3
InChIKeyVFTGIGWIFWLOOU-UHFFFAOYSA-N
XLogP0.48
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate (CID 164559034) is methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1cc(C2CC2)cc(N)c1=O.
What is the InChIKey of methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is VFTGIGWIFWLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-10(14)6-13-5-8(7-2-3-7)4-9(12)11(13)15/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-5-cyclopropyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 164559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).