2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid

C9H12N2O3 — CID 170163235

IUPAC2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)cc1N
InChIInChI=1S/C9H12N2O3/c1-2-6-3-8(12)11(4-7(6)10)5-9(13)14/h3-4H,2,5,10H2,1H3,(H,13,14)
InChIKeyUFZDUFYLFBFBHK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds3

About 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid

2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 170163235) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID170163235
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1cc(=O)n(CC(=O)O)cc1N
InChIInChI=1S/C9H12N2O3/c1-2-6-3-8(12)11(4-7(6)10)5-9(13)14/h3-4H,2,5,10H2,1H3,(H,13,14)
InChIKeyUFZDUFYLFBFBHK-UHFFFAOYSA-N
XLogP0.08
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 1096408
2-(4-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 651661
2-(3-Carbamoyl-2-hydroxy-4-methyl-6-oxopyridin-1-yl)acetic acid
CID 1403774
2-[3-Amino-6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 141878641
methyl (3-amino-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)acetate
CID 1384057
(6-Methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-acetic acid
CID 102543981
2-(3-Amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
CID 18323861
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
CID 18469002
2-(2,4-Dimethyl-6-oxo-1-pyridinyl)acetic acid
CID 46785850
2-(4-Ethyl-3,6-dimethyl-2-oxo-1-pyridinyl)acetic acid;yttrium
CID 59959844
2-(2-oxo-4,8-dihydro-3H-pyrido[3,4-b]azepin-1-yl)acetic acid
CID 69986892
2-(3-Amino-2-oxo-4-prop-2-enyl-1-pyridinyl)acetic acid
CID 70067627

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid (CID 170163235) is 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid is CCc1cc(=O)n(CC(=O)O)cc1N.
What is the InChIKey of 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is UFZDUFYLFBFBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-3-8(12)11(4-7(6)10)5-9(13)14/h3-4H,2,5,10H2,1H3,(H,13,14).
What are the key properties of 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid?
2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-ethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 170163235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).