methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

C8H10N2O3 — CID 82990825

IUPACmethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)5-10-3-2-7(11)6(9)4-10/h2-4H,5,9H2,1H3
InChIKeyFWPJXMVJWKAHMU-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.40
Rot. Bonds2

About methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate

methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (PubChem CID 82990825) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
PubChem CID82990825
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(3-amino-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C8H10N2O3/c1-13-8(12)5-10-3-2-7(11)6(9)4-10/h2-4H,5,9H2,1H3
InChIKeyFWPJXMVJWKAHMU-UHFFFAOYSA-N
XLogP-0.40
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Methyl 2-(4-oxo-1-pyridinyl)acetate
CID 15080691
Propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 62881182
ethyl (Z)-3-(dimethylamino)-2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 117600789
ethyl 3-(dimethylamino)-2-(4-oxopyridin-1(4H)-yl)acrylate
CID 131732877
Ethyl 2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 141433288
Ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
CID 145068804
Ethyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684183
Methyl 2-[(2-amino-3-oxobut-1-enyl)-methylamino]acetate
CID 176684184
Butyl 2-(4-oxo-1-pyridinyl)acetate
CID 62881356
3-Amino-1-(2-ethoxyethyl)-1,4-dihydropyridin-4-one
CID 82990001
3-Amino-1-[2-(2-methoxyethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82990005

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate (CID 82990825) is methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate is COC(=O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
The InChIKey is FWPJXMVJWKAHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8(12)5-10-3-2-7(11)6(9)4-10/h2-4H,5,9H2,1H3.
What are the key properties of methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate has a molecular weight of 182.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 82990825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).