2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid

C15H20N2O4 — CID 82321471

IUPAC2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc(N(CC(C)C(=O)O)C(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-6-16-13(8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyNWJBXIFHQQBQAU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.62
Rot. Bonds5

About 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid

2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid (PubChem CID 82321471) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid
PubChem CID82321471
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc(N(CC(C)C(=O)O)C(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-10-5-6-16-13(8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyNWJBXIFHQQBQAU-UHFFFAOYSA-N
XLogP1.62
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-N-(oxolane-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321467
2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321055
(2S)-3-[cyclopropyl-[(2S)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 95539140
2-methyl-3-[(4-methyl-2-pyridinyl)-methylsulfonylamino]propanoic acid
CID 82321956
3-[ethyl-[(2R)-oxolane-2-carbonyl]amino]-2-methylpropanoic acid
CID 104855658
3-[2-carboxyethyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319483
3-[3,5-dimethyl-N-(oxolane-2-carbonyl)anilino]propanoic acid
CID 82321438
3-[2-acetamidoethyl(oxolane-2-carbonyl)amino]-2-methylpropanoic acid
CID 82324305
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319525
2-(1,3-dioxolan-2-yl)-N-methyl-N-(4-methyl-2-pyridinyl)acetamide
CID 166298210
3-(2-methyl-N-[(2S)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332714
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid (CID 82321471) is 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid is Cc1ccnc(N(CC(C)C(=O)O)C(=O)C2CCCO2)c1.
What is the InChIKey of 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid?
The InChIKey is NWJBXIFHQQBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-5-6-16-13(8-10)17(9-11(2)15(19)20)14(18)12-4-3-7-21-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82321471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).