2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid

C13H18N2O4 — CID 113308420

IUPAC2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ncccc1O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-13(4-2,12(18)19)8-15-11(17)10-9(16)6-5-7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLQZCAPJUSPQALR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.41
Rot. Bonds6

About 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid (PubChem CID 113308420) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
PubChem CID113308420
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ncccc1O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-13(4-2,12(18)19)8-15-11(17)10-9(16)6-5-7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLQZCAPJUSPQALR-UHFFFAOYSA-N
XLogP1.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-ethyl-2-[[(2-methylpyridine-3-carbonyl)amino]methyl]butanoic acid
CID 115429550
2-ethyl-2-[(isoquinoline-1-carbonylamino)methyl]butanoic acid
CID 120533419
2-ethyl-2-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]butanoic acid
CID 82826947
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 115431161
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
2-[[(3-bromopyridine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533259
3-hydroxypyridine-2-carbohydrazide
CID 45083058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid (CID 113308420) is 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1ncccc1O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid?
The InChIKey is LQZCAPJUSPQALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-13(4-2,12(18)19)8-15-11(17)10-9(16)6-5-7-14-10/h5-7,16H,3-4,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 113308420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).