4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid

C17H20N2O4 — CID 120532298

IUPAC4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C17H20N2O4/c1-11-7-8-12-5-4-6-13(15(12)18-11)16(22)19-17(2,10-23-3)9-14(20)21/h4-8H,9-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZRBSAYKVZFSQAI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.15
Rot. Bonds6

About 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid

4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid (PubChem CID 120532298) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
PubChem CID120532298
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cccc2ccc(C)nc12
InChIInChI=1S/C17H20N2O4/c1-11-7-8-12-5-4-6-13(15(12)18-11)16(22)19-17(2,10-23-3)9-14(20)21/h4-8H,9-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZRBSAYKVZFSQAI-UHFFFAOYSA-N
XLogP2.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid (CID 120532298) is 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1cccc2ccc(C)nc12.
What is the InChIKey of 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
The InChIKey is ZRBSAYKVZFSQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-7-8-12-5-4-6-13(15(12)18-11)16(22)19-17(2,10-23-3)9-14(20)21/h4-8H,9-10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid?
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120532298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).