2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

C12H16N2O5 — CID 66174419

IUPAC2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(O)(CNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-12(19,11(17)18)8-13-9(15)5-7-14-6-3-2-4-10(14)16/h2-4,6,19H,5,7-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyLTKNJWHTRUVCCS-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.81
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (PubChem CID 66174419) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
PubChem CID66174419
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(O)(CNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-12(19,11(17)18)8-13-9(15)5-7-14-6-3-2-4-10(14)16/h2-4,6,19H,5,7-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyLTKNJWHTRUVCCS-UHFFFAOYSA-N
XLogP-0.81
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-2-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 64471622
2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid
CID 67523154
3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid
CID 141166714
3-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methylamino]propanoic acid
CID 156176697
3-[3-(2-Oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 43354876
2-Methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 62676403
2-Hydroxy-2-methyl-3-(2-oxo-1,2-dihydropyridin-1-yl)propanoic acid
CID 64471188
2-Hydroxy-2-methyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 64473131
N-(2-hydroxy-2-methylpropyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 65110653
N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 65114611
2-Hydroxy-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 66164962
2-Hydroxy-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 66166674

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (CID 66174419) is 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is CC(O)(CNC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The InChIKey is LTKNJWHTRUVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(19,11(17)18)8-13-9(15)5-7-14-6-3-2-4-10(14)16/h2-4,6,19H,5,7-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is sourced from PubChem (CID 66174419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).