2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid

C12H16N2O4 — CID 120518350

IUPAC2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cccc(=O)n1C
InChIInChI=1S/C12H16N2O4/c1-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13(9)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyLZXDVHJOQPUAMP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds4

About 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 120518350) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID120518350
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cccc(=O)n1C
InChIInChI=1S/C12H16N2O4/c1-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13(9)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyLZXDVHJOQPUAMP-UHFFFAOYSA-N
XLogP0.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[3-(2-oxo-1-pyridinyl)propanoyl-propan-2-ylamino]acetic acid
CID 60832892
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
2-[propan-2-yl-(4-pyrrol-1-ylbenzoyl)amino]acetic acid
CID 60831722
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
2-[(2-hydroxy-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 60832023
2-[(2-fluoro-6-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 65434755
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 119197950

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid (CID 120518350) is 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1cccc(=O)n1C.
What is the InChIKey of 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is LZXDVHJOQPUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13(9)3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopyridine-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).