2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C13H18N2O4 — CID 120520363

IUPAC2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccc(C(=O)N(C)C(C)C(=O)O)n1
InChIInChI=1S/C13H18N2O4/c1-8(2)19-11-7-5-6-10(14-11)12(16)15(4)9(3)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyJEHAVGBWHOVLQL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.41
Rot. Bonds5

About 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120520363) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120520363
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1cccc(C(=O)N(C)C(C)C(=O)O)n1
InChIInChI=1S/C13H18N2O4/c1-8(2)19-11-7-5-6-10(14-11)12(16)15(4)9(3)13(17)18/h5-9H,1-4H3,(H,17,18)
InChIKeyJEHAVGBWHOVLQL-UHFFFAOYSA-N
XLogP1.41
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
(6-propan-2-yloxy-2-pyridinyl) hydrogen carbonate
CID 129216307
3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120693484
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
N-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N-methyl-6-propan-2-yloxypyridine-2-carboxamide
CID 97242334
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 120520363) is 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is CC(C)Oc1cccc(C(=O)N(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is JEHAVGBWHOVLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)19-11-7-5-6-10(14-11)12(16)15(4)9(3)13(17)18/h5-9H,1-4H3,(H,17,18).
What are the key properties of 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).