2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid

C19H18N4O3 — CID 120698297

IUPAC2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)C2CC2c2ccc3ccccc3c2)nn1
InChIInChI=1S/C19H18N4O3/c24-18(25)11-23-10-15(21-22-23)9-20-19(26)17-8-16(17)14-6-5-12-3-1-2-4-13(12)7-14/h1-7,10,16-17H,8-9,11H2,(H,20,26)(H,24,25)
InChIKeyXXQXTTZTDQWLIY-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698297) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698297
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)C2CC2c2ccc3ccccc3c2)nn1
InChIInChI=1S/C19H18N4O3/c24-18(25)11-23-10-15(21-22-23)9-20-19(26)17-8-16(17)14-6-5-12-3-1-2-4-13(12)7-14/h1-7,10,16-17H,8-9,11H2,(H,20,26)(H,24,25)
InChIKeyXXQXTTZTDQWLIY-UHFFFAOYSA-N
XLogP1.94
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697911
2-[4-[(bicyclo[2.2.1]heptane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115457463
N-(2-aminoethyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 119384164
2-[4-[(3,4-dihydro-2H-chromene-3-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120698888
2-[4-[[(5-methyloxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 114824565
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
2-[4-[(3-phenylsulfanylpropanoylamino)methyl]triazol-1-yl]acetic acid
CID 120698198
2-[4-[(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120697858
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 120698297) is 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)C2CC2c2ccc3ccccc3c2)nn1.
What is the InChIKey of 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is XXQXTTZTDQWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(25)11-23-10-15(21-22-23)9-20-19(26)17-8-16(17)14-6-5-12-3-1-2-4-13(12)7-14/h1-7,10,16-17H,8-9,11H2,(H,20,26)(H,24,25).
What are the key properties of 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 350.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-naphthalen-2-ylcyclopropanecarbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).