2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid

C14H16N4O3 — CID 60830670

IUPAC2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O3/c1-10(2)17(9-13(19)20)14(21)12-8-15-18(16-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyIMGZIMSVIASXNB-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid

2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 60830670) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID60830670
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H16N4O3/c1-10(2)17(9-13(19)20)14(21)12-8-15-18(16-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyIMGZIMSVIASXNB-UHFFFAOYSA-N
XLogP1.20
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
3-[[2-(4-fluorophenyl)triazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207140
2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116547
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid (CID 60830670) is 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is IMGZIMSVIASXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10(2)17(9-13(19)20)14(21)12-8-15-18(16-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid?
2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60830670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).