2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid

C19H24N4O4 — CID 119211323

IUPAC2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc(-n2nnc(CC(=O)N(CC(=O)O)C3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N4O4/c1-13-3-5-16(6-4-13)23-14(2)17(20-21-23)11-18(24)22(12-19(25)26)15-7-9-27-10-8-15/h3-6,15H,7-12H2,1-2H3,(H,25,26)
InChIKeyFHJNUKJPAXOJLD-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.52
Rot. Bonds6

About 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211323) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211323
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
SMILESCc1ccc(-n2nnc(CC(=O)N(CC(=O)O)C3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N4O4/c1-13-3-5-16(6-4-13)23-14(2)17(20-21-23)11-18(24)22(12-19(25)26)15-7-9-27-10-8-15/h3-6,15H,7-12H2,1-2H3,(H,25,26)
InChIKeyFHJNUKJPAXOJLD-UHFFFAOYSA-N
XLogP1.52
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]morpholin-2-yl]acetic acid
CID 125151906
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide
CID 97211516
3-[ethyl-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119191389
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211197
2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211258
(2R)-3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 124689371
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212
2-[(2R)-4-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125132186
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 56819557
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
CID 82195554

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid (CID 119211323) is 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid is Cc1ccc(-n2nnc(CC(=O)N(CC(=O)O)C3CCOCC3)c2C)cc1.
What is the InChIKey of 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is FHJNUKJPAXOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-3-5-16(6-4-13)23-14(2)17(20-21-23)11-18(24)22(12-19(25)26)15-7-9-27-10-8-15/h3-6,15H,7-12H2,1-2H3,(H,25,26).
What are the key properties of 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 372.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).