3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

C20H24N2O4 — CID 120532251

IUPAC3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12
InChIInChI=1S/C20H24N2O4/c1-12-4-7-16-14(8-12)15(9-17(21-16)13-5-6-13)19(25)22-20(2,11-26-3)10-18(23)24/h4,7-9,13H,5-6,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZNHSCYYUNOIGRB-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.03
Rot. Bonds7

About 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (PubChem CID 120532251) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
PubChem CID120532251
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12
InChIInChI=1S/C20H24N2O4/c1-12-4-7-16-14(8-12)15(9-17(21-16)13-5-6-13)19(25)22-20(2,11-26-3)10-18(23)24/h4,7-9,13H,5-6,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZNHSCYYUNOIGRB-UHFFFAOYSA-N
XLogP3.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropyl-6-methylquinoline-4-carboxamide
CID 119575448
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119617086
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532182
4-methoxy-3-methyl-3-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120532298
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopropyl-6-methyl-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]quinoline-4-carboxamide
CID 96522697

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (CID 120532251) is 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is COCC(C)(CC(=O)O)NC(=O)c1cc(C2CC2)nc2ccc(C)cc12.
What is the InChIKey of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The InChIKey is ZNHSCYYUNOIGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-4-7-16-14(8-12)15(9-17(21-16)13-5-6-13)19(25)22-20(2,11-26-3)10-18(23)24/h4,7-9,13H,5-6,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 120532251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).