3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid

C13H19N3O4 — CID 122086035

IUPAC3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ncc(C)cc1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8-5-10(11(20-4)14-6-8)15-13(19)16(3)7-9(2)12(17)18/h5-6,9H,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyQNQVJXJNNYTMGV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.58
Rot. Bonds5

About 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid

3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122086035) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122086035
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ncc(C)cc1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-8-5-10(11(20-4)14-6-8)15-13(19)16(3)7-9(2)12(17)18/h5-6,9H,7H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyQNQVJXJNNYTMGV-UHFFFAOYSA-N
XLogP1.58
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
3-[[4-(2-methoxyethoxy)-2-methylphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122076811
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
3-[(4-bromo-5-methoxycarbonyl-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122093422
3-[(5-bromo-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007474
2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122091322
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122088128
2-hydroxy-N-(2-methoxy-5-methyl-3-pyridinyl)-2-phenylacetamide
CID 111560752
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62994020
3-[[2,4-di(propan-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075662
3-[(2-bromo-4-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007174

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 122086035) is 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid is COc1ncc(C)cc1NC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is QNQVJXJNNYTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-5-10(11(20-4)14-6-8)15-13(19)16(3)7-9(2)12(17)18/h5-6,9H,7H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid?
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122086035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).