2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid

C14H20N2O4 — CID 119200444

IUPAC2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)N(C)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C14H20N2O4/c1-9(2)20-11-7-6-10(8-15-11)12(17)16(5)14(3,4)13(18)19/h6-9H,1-5H3,(H,18,19)
InChIKeyGWHRFBZSPKFYPV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119200444) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
PubChem CID119200444
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C)Oc1ccc(C(=O)N(C)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C14H20N2O4/c1-9(2)20-11-7-6-10(8-15-11)12(17)16(5)14(3,4)13(18)19/h6-9H,1-5H3,(H,18,19)
InChIKeyGWHRFBZSPKFYPV-UHFFFAOYSA-N
XLogP1.80
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120518663
N-(1-cyclopropylethyl)-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 75414813
1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
N-cyclopropyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 60555580
4-(6-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 67256782
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
CID 120540542
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 86985471
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid (CID 119200444) is 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid is CC(C)Oc1ccc(C(=O)N(C)C(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is GWHRFBZSPKFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)20-11-7-6-10(8-15-11)12(17)16(5)14(3,4)13(18)19/h6-9H,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119200444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).