4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid

C17H20N2O4 — CID 120532391

IUPAC4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H20N2O4/c1-17(11-23-2,10-15(21)22)19-14(20)9-13-6-3-5-12-7-4-8-18-16(12)13/h3-8H,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZKDPZMZANPTWJJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.77
Rot. Bonds7

About 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid

4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid (PubChem CID 120532391) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
PubChem CID120532391
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C17H20N2O4/c1-17(11-23-2,10-15(21)22)19-14(20)9-13-6-3-5-12-7-4-8-18-16(12)13/h3-8H,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZKDPZMZANPTWJJ-UHFFFAOYSA-N
XLogP1.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120532298
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
CID 110003116
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
ethyl 2-quinolin-8-ylacetate
CID 52562898
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid (CID 120532391) is 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)Cc1cccc2cccnc12.
What is the InChIKey of 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid?
The InChIKey is ZKDPZMZANPTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-17(11-23-2,10-15(21)22)19-14(20)9-13-6-3-5-12-7-4-8-18-16(12)13/h3-8H,9-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid?
4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid has a molecular weight of 316.36 g/mol, XLogP of 1.77, 7 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-quinolin-8-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 120532391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).