3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid

C12H16N2O4 — CID 113415816

IUPAC3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCOc1ncccc1C(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(12(16)17)8(2)14-10(15)9-5-4-6-13-11(9)18-3/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyUDIZBPORDRKFHD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.93
Rot. Bonds5

About 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid

3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 113415816) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
PubChem CID113415816
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid
SMILESCOc1ncccc1C(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(12(16)17)8(2)14-10(15)9-5-4-6-13-11(9)18-3/h4-8H,1-3H3,(H,14,15)(H,16,17)
InChIKeyUDIZBPORDRKFHD-UHFFFAOYSA-N
XLogP0.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 138057760
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 62876323
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
2-methoxy-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82724055
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid (CID 113415816) is 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid is COc1ncccc1C(=O)NC(C)C(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is UDIZBPORDRKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(12(16)17)8(2)14-10(15)9-5-4-6-13-11(9)18-3/h4-8H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid?
3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxypyridine-3-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 113415816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).