2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid

C8H12N2O3 — CID 141116671

IUPAC2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)N(N)CC1
InChIInChI=1S/C8H12N2O3/c1-5-2-3-10(9)8(13)6(5)4-7(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyIMRGSRWXHMGTBC-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.12
Rot. Bonds2

About 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid

2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid (PubChem CID 141116671) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
PubChem CID141116671
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)N(N)CC1
InChIInChI=1S/C8H12N2O3/c1-5-2-3-10(9)8(13)6(5)4-7(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyIMRGSRWXHMGTBC-UHFFFAOYSA-N
XLogP-0.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
(1-Amino-4-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)acetic acid ethyl ester
CID 69124032
2-(1-Amino-4-methyl-2-oxo-3-pyridinyl)acetic acid
CID 69518228
2-(4-Methyl-1-nitroso-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
CID 141116670
2-(1-Amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
CID 142693441
4-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 63271349
2-(5-ethyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081843
2-(5-tert-butyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081857
2-(2,5-diethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 117124563
2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 117124568
2-(5-tert-butyl-2-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 117124573
2-(2-Ethyl-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
CID 125452860

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid?
The IUPAC name of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid (CID 141116671) is 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid?
The canonical SMILES for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid is CC1=C(CC(=O)O)C(=O)N(N)CC1.
What is the InChIKey of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid?
The InChIKey is IMRGSRWXHMGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-2-3-10(9)8(13)6(5)4-7(11)12/h2-4,9H2,1H3,(H,11,12).
What are the key properties of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid?
2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid has a molecular weight of 184.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid is sourced from PubChem (CID 141116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).