2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid

C11H14N2O4 — CID 54893003

IUPAC2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ncccc1O
InChIInChI=1S/C11H14N2O4/c1-7(2)13(6-9(15)16)11(17)10-8(14)4-3-5-12-10/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyHPOZYXPJNYPCPM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.72
Rot. Bonds4

About 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid

2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 54893003) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID54893003
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ncccc1O
InChIInChI=1S/C11H14N2O4/c1-7(2)13(6-9(15)16)11(17)10-8(14)4-3-5-12-10/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyHPOZYXPJNYPCPM-UHFFFAOYSA-N
XLogP0.72
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 60923482
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetic acid;methyl 2-[(3-hydroxypyridine-2-carbonyl)-methylamino]acetate
CID 159109262
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55009248
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid (CID 54893003) is 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ncccc1O.
What is the InChIKey of 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is HPOZYXPJNYPCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(2)13(6-9(15)16)11(17)10-8(14)4-3-5-12-10/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid?
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 54893003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).