2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid

C11H16N2O3 — CID 20709858

IUPAC2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid
SMILESCNc1c(C)c(C)c(C)n(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)10(12-4)11(16)13(8(6)3)5-9(14)15/h12H,5H2,1-4H3,(H,14,15)
InChIKeyVHLNAAMLUXENAG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.90
Rot. Bonds3

About 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid

2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid (PubChem CID 20709858) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid
PubChem CID20709858
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid
SMILESCNc1c(C)c(C)c(C)n(CC(=O)O)c1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)10(12-4)11(16)13(8(6)3)5-9(14)15/h12H,5H2,1-4H3,(H,14,15)
InChIKeyVHLNAAMLUXENAG-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801688
N-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]acetamide
CID 20801700
3-[2-Hydroxy-5-(2-hydroxyethylamino)-3,4-dimethyl-6-oxo-1-pyridinyl]propanoic acid
CID 21022691
Tert-butyl 2-(5-amino-2,3,4-trimethyl-6-oxo-1-pyridinyl)acetate
CID 22949250
methyl N-(1,4,5,6-tetramethyl-2-oxo-3-pyridinyl)carbamate
CID 23382244
2-[5-(Dimethylamino)-2,3,4-trimethyl-6-oxo-1-pyridinyl]propanoic acid
CID 59975127
N-ethyl-2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetamide
CID 60092802
N-methyl-2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetamide
CID 60092964
2-[[(E)-2-amino-3-methylpent-2-enoyl]amino]acetic acid
CID 164135589
2-[[2,4-Dimethyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carbonyl]amino]acetic acid
CID 119350119

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid (CID 20709858) is 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid is CNc1c(C)c(C)c(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid?
The InChIKey is VHLNAAMLUXENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-7(2)10(12-4)11(16)13(8(6)3)5-9(14)15/h12H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid?
2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-trimethyl-5-(methylamino)-6-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 20709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).