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

C8H10N2O3 — CID 18690858

IUPACmethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C8H10N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h2-4H,5,9H2,1H3
InChIKeyAVTCVMQZWVXNJF-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.40
Rot. Bonds2

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

methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 18690858) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
PubChem CID18690858
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(3-amino-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C8H10N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h2-4H,5,9H2,1H3
InChIKeyAVTCVMQZWVXNJF-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-(3-acetamido-2-oxo-1-pyridinyl)acetate
CID 10444200
Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 10035571
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 20117853
5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate hydrochloride
CID 154581369
Ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
CID 45271635
(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
3-Amino-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 4456265
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
[2-(3-Amino-2-oxo-1-pyridinyl)acetyl] 2,2,2-trifluoroacetate
CID 87152487
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
Methyl 2-(3-amino-2-oxopyridin-1(2H)-yl)acetate hydrochloride
CID 138585376

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate (CID 18690858) is methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is AVTCVMQZWVXNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-7(11)5-10-4-2-3-6(9)8(10)12/h2-4H,5,9H2,1H3.
What are the key properties of methyl 2-(3-amino-2-oxo-1-pyridinyl)acetate?
methyl 2-(3-amino-2-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-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 18690858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).