2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid

C9H12N2O3 — CID 18323861

IUPAC2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1ccc(N)c(=O)n1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-6-3-4-7(10)9(14)11(6)5-8(12)13/h3-4H,2,5,10H2,1H3,(H,12,13)
InChIKeyJNVJUNONKBQPSU-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds3

About 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid

2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 18323861) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID18323861
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1ccc(N)c(=O)n1CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-2-6-3-4-7(10)9(14)11(6)5-8(12)13/h3-4H,2,5,10H2,1H3,(H,12,13)
InChIKeyJNVJUNONKBQPSU-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

(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
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
2-(3-Acetamido-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 11820421
2-(3-Amino-6-methyl-2-oxo-1-pyridinyl)acetic acid
CID 18468954
2-(3-Amino-6-butyl-2-oxo-1-pyridinyl)acetic acid
CID 18469002
Methyl 2-(3-amino-6-methyl-2-oxopyridin-1(2H)-yl)acetate
CID 18690857
Methyl [3-amino-6-butyl-1,2-dihydro-2-oxo-1-pyridyl]acetate
CID 18690859
2-[3-(Methylamino)-2-oxo-1-pyridinyl]acetic acid
CID 18718030
3-Amino-6-isopropyl-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 22178631
Tert-butyl 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetate
CID 22943473

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid (CID 18323861) is 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid is CCc1ccc(N)c(=O)n1CC(=O)O.
What is the InChIKey of 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is JNVJUNONKBQPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-6-3-4-7(10)9(14)11(6)5-8(12)13/h3-4H,2,5,10H2,1H3,(H,12,13).
What are the key properties of 2-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid?
2-(3-amino-6-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-(3-amino-6-ethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 18323861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).