2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid

C14H14N4O3 — CID 119194616

IUPAC2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(-n2cncn2)c1)C1CC1
InChIInChI=1S/C14H14N4O3/c19-13(20)7-17(11-4-5-11)14(21)10-2-1-3-12(6-10)18-9-15-8-16-18/h1-3,6,8-9,11H,4-5,7H2,(H,19,20)
InChIKeyULZXQBXUSDSLKP-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds5

About 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid

2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid (PubChem CID 119194616) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
PubChem CID119194616
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(-n2cncn2)c1)C1CC1
InChIInChI=1S/C14H14N4O3/c19-13(20)7-17(11-4-5-11)14(21)10-2-1-3-12(6-10)18-9-15-8-16-18/h1-3,6,8-9,11H,4-5,7H2,(H,19,20)
InChIKeyULZXQBXUSDSLKP-UHFFFAOYSA-N
XLogP0.96
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 122146306
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 166294695
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124590395

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid (CID 119194616) is 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid is O=C(O)CN(C(=O)c1cccc(-n2cncn2)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid?
The InChIKey is ULZXQBXUSDSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(20)7-17(11-4-5-11)14(21)10-2-1-3-12(6-10)18-9-15-8-16-18/h1-3,6,8-9,11H,4-5,7H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119194616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).