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

C18H24N4O3 — CID 119253620

IUPAC4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
SMILESCc1ccc(-n2nnc(C(=O)NCC(CC(C)C)C(=O)O)c2C)cc1
InChIInChI=1S/C18H24N4O3/c1-11(2)9-14(18(24)25)10-19-17(23)16-13(4)22(21-20-16)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,19,23)(H,24,25)
InChIKeyKUXIEZVOPBBHCI-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.36
Rot. Bonds7

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

4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid (PubChem CID 119253620) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
PubChem CID119253620
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
SMILESCc1ccc(-n2nnc(C(=O)NCC(CC(C)C)C(=O)O)c2C)cc1
InChIInChI=1S/C18H24N4O3/c1-11(2)9-14(18(24)25)10-19-17(23)16-13(4)22(21-20-16)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,19,23)(H,24,25)
InChIKeyKUXIEZVOPBBHCI-UHFFFAOYSA-N
XLogP2.36
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111448019
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
4-methyl-2-[[[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid
CID 119253698
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
(2R)-2-(4-fluorophenoxy)-3-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]propanoic acid
CID 97337600
7-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]heptanoic acid
CID 119227588
2-[[(2-bromo-5-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 81110372
1-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-5-methyltriazole-4-carboxamide
CID 46858303
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
5-methyl-N-[2-(methylamino)propyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120831805
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
(2R)-3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 124689371

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid (CID 119253620) is 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid is Cc1ccc(-n2nnc(C(=O)NCC(CC(C)C)C(=O)O)c2C)cc1.
What is the InChIKey of 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is KUXIEZVOPBBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)9-14(18(24)25)10-19-17(23)16-13(4)22(21-20-16)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,19,23)(H,24,25).
What are the key properties of 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 344.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119253620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).