2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid

C11H11N3O2 — CID 84785166

IUPAC2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C11H11N3O2/c15-10(16)6-11(3-4-11)7-1-2-8-9(5-7)13-14-12-8/h1-2,5H,3-4,6H2,(H,15,16)(H,12,13,14)
InChIKeyVXXGFUINQUOYDZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid

2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid (PubChem CID 84785166) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
PubChem CID84785166
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C11H11N3O2/c15-10(16)6-11(3-4-11)7-1-2-8-9(5-7)13-14-12-8/h1-2,5H,3-4,6H2,(H,15,16)(H,12,13,14)
InChIKeyVXXGFUINQUOYDZ-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclopropyl]acetic acid
CID 117467701
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
2-[1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117491421
2-[1-[3-bromo-4-(fluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84813903
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-(3-chloro-4-pyrazol-1-ylphenyl)cyclopropyl]acetic acid
CID 117443366
2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
CID 117374320

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid (CID 84785166) is 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is VXXGFUINQUOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10(16)6-11(3-4-11)7-1-2-8-9(5-7)13-14-12-8/h1-2,5H,3-4,6H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid?
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 84785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).