2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid

C10H14N2O4 — CID 67523154

IUPAC2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCN1C=CC=C(C(=O)NCC(O)C(=O)O)C1
InChIInChI=1S/C10H14N2O4/c1-12-4-2-3-7(6-12)9(14)11-5-8(13)10(15)16/h2-4,8,13H,5-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyJJNOAIYUGVFWGK-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.07
Rot. Bonds4

About 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid

2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 67523154) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID67523154
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCN1C=CC=C(C(=O)NCC(O)C(=O)O)C1
InChIInChI=1S/C10H14N2O4/c1-12-4-2-3-7(6-12)9(14)11-5-8(13)10(15)16/h2-4,8,13H,5-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyJJNOAIYUGVFWGK-UHFFFAOYSA-N
XLogP-1.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid (CID 67523154) is 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid is CN1C=CC=C(C(=O)NCC(O)C(=O)O)C1.
What is the InChIKey of 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is JJNOAIYUGVFWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-4-2-3-7(6-12)9(14)11-5-8(13)10(15)16/h2-4,8,13H,5-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methyl-2H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67523154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).