2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid

C17H22N4O3 — CID 119192183

IUPAC2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1nnn(-c2ccccc2)c1C)C(=O)O
InChIInChI=1S/C17H22N4O3/c1-4-10-17(3,16(23)24)18-15(22)11-14-12(2)21(20-19-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,22)(H,23,24)
InChIKeyLXGCZIWKCJSXHM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds7

About 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid (PubChem CID 119192183) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
PubChem CID119192183
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cc1nnn(-c2ccccc2)c1C)C(=O)O
InChIInChI=1S/C17H22N4O3/c1-4-10-17(3,16(23)24)18-15(22)11-14-12(2)21(20-19-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,22)(H,23,24)
InChIKeyLXGCZIWKCJSXHM-UHFFFAOYSA-N
XLogP1.88
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
3-[ethyl-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119191389
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 120831900
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507
cis-(1R,3S)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678634
2-(2,3-dimethylphenyl)-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]acetic acid
CID 167774852
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid (CID 119192183) is 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cc1nnn(-c2ccccc2)c1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid?
The InChIKey is LXGCZIWKCJSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-10-17(3,16(23)24)18-15(22)11-14-12(2)21(20-19-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,22)(H,23,24).
What are the key properties of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid has a molecular weight of 330.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119192183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).