2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid

C17H20N4O3 — CID 119218035

IUPAC2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(-n2nnc(C(=O)NC3(CC(=O)O)CCC3)c2C)cc1
InChIInChI=1S/C17H20N4O3/c1-11-4-6-13(7-5-11)21-12(2)15(19-20-21)16(24)18-17(8-3-9-17)10-14(22)23/h4-7H,3,8-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyRXVSRKTWPVPZKA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.01
Rot. Bonds5

About 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119218035) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119218035
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(-n2nnc(C(=O)NC3(CC(=O)O)CCC3)c2C)cc1
InChIInChI=1S/C17H20N4O3/c1-11-4-6-13(7-5-11)21-12(2)15(19-20-21)16(24)18-17(8-3-9-17)10-14(22)23/h4-7H,3,8-10H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyRXVSRKTWPVPZKA-UHFFFAOYSA-N
XLogP2.01
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
2-[1-[(1-isoquinolin-5-yl-5-methyltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120522017
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
7-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]heptanoic acid
CID 119227588
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253620
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
1-[[(5-methyl-1-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544247
1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539004
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid (CID 119218035) is 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid is Cc1ccc(-n2nnc(C(=O)NC3(CC(=O)O)CCC3)c2C)cc1.
What is the InChIKey of 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is RXVSRKTWPVPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-4-6-13(7-5-11)21-12(2)15(19-20-21)16(24)18-17(8-3-9-17)10-14(22)23/h4-7H,3,8-10H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).