2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid

C19H21N5O3 — CID 120516941

IUPAC2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O
InChIInChI=1S/C19H21N5O3/c1-4-10-19(3,18(26)27)21-17(25)15-12(2)24(23-22-15)14-9-5-7-13-8-6-11-20-16(13)14/h5-9,11H,4,10H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyYMARAHBDVQXSQS-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid

2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120516941) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
PubChem CID120516941
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O
InChIInChI=1S/C19H21N5O3/c1-4-10-19(3,18(26)27)21-17(25)15-12(2)24(23-22-15)14-9-5-7-13-8-6-11-20-16(13)14/h5-9,11H,4,10H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyYMARAHBDVQXSQS-UHFFFAOYSA-N
XLogP2.50
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
CID 119666236
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid (CID 120516941) is 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1nnn(-c2cccc3cccnc23)c1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is YMARAHBDVQXSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-10-19(3,18(26)27)21-17(25)15-12(2)24(23-22-15)14-9-5-7-13-8-6-11-20-16(13)14/h5-9,11H,4,10H2,1-3H3,(H,21,25)(H,26,27).
What are the key properties of 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid?
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 367.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).