2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid

C11H14N4O2 — CID 83896051

IUPAC2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid
SMILESCC(C)n1nnc2cccc(C(N)C(=O)O)c21
InChIInChI=1S/C11H14N4O2/c1-6(2)15-10-7(9(12)11(16)17)4-3-5-8(10)13-14-15/h3-6,9H,12H2,1-2H3,(H,16,17)
InChIKeyRNMWZLIKYKLICZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid

2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid (PubChem CID 83896051) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid
PubChem CID83896051
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid
SMILESCC(C)n1nnc2cccc(C(N)C(=O)O)c21
InChIInChI=1S/C11H14N4O2/c1-6(2)15-10-7(9(12)11(16)17)4-3-5-8(10)13-14-15/h3-6,9H,12H2,1-2H3,(H,16,17)
InChIKeyRNMWZLIKYKLICZ-UHFFFAOYSA-N
XLogP1.10
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid (CID 83896051) is 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid is CC(C)n1nnc2cccc(C(N)C(=O)O)c21.
What is the InChIKey of 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid?
The InChIKey is RNMWZLIKYKLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6(2)15-10-7(9(12)11(16)17)4-3-5-8(10)13-14-15/h3-6,9H,12H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid?
2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid has a molecular weight of 234.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid is sourced from PubChem (CID 83896051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).