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

C15H18N4O3 — CID 119187686

IUPAC2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1c(CC(=O)NC(C)(C)C(=O)O)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-10-12(9-13(20)16-15(2,3)14(21)22)17-18-19(10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyVJOKJEIFLXIOOI-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds5

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

2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119187686) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119187686
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1c(CC(=O)NC(C)(C)C(=O)O)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-10-12(9-13(20)16-15(2,3)14(21)22)17-18-19(10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyVJOKJEIFLXIOOI-UHFFFAOYSA-N
XLogP1.10
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
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]pentanoic acid
CID 119192183
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
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
3-[ethyl-[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119191389
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid (CID 119187686) is 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid is Cc1c(CC(=O)NC(C)(C)C(=O)O)nnn1-c1ccccc1.
What is the InChIKey of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is VJOKJEIFLXIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-12(9-13(20)16-15(2,3)14(21)22)17-18-19(10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,16,20)(H,21,22).
What are the key properties of 2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.10, 5 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]propanoic acid is sourced from PubChem (CID 119187686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).