3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid

C11H14N2O4 — CID 16784411

IUPAC3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C(C)O)cn1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-8(5-12-6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17)
InChIKeyKGTTUFSLLZKUHB-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.05
Rot. Bonds4

About 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid

3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid (PubChem CID 16784411) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
PubChem CID16784411
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(C(=O)O)C(C)O)cn1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-8(5-12-6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17)
InChIKeyKGTTUFSLLZKUHB-UHFFFAOYSA-N
XLogP-0.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
CID 61121839
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid (CID 16784411) is 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid is Cc1ccc(C(=O)NC(C(=O)O)C(C)O)cn1.
What is the InChIKey of 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is KGTTUFSLLZKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-3-4-8(5-12-6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 16784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).