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

C12H15N3O2 — CID 83895538

IUPAC2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid
SMILESCC(C)n1cnc2cccc(C(N)C(=O)O)c21
InChIInChI=1S/C12H15N3O2/c1-7(2)15-6-14-9-5-3-4-8(11(9)15)10(13)12(16)17/h3-7,10H,13H2,1-2H3,(H,16,17)
InChIKeyOPJSFVIJBLYZKW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

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

2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid (PubChem CID 83895538) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid
PubChem CID83895538
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid
SMILESCC(C)n1cnc2cccc(C(N)C(=O)O)c21
InChIInChI=1S/C12H15N3O2/c1-7(2)15-6-14-9-5-3-4-8(11(9)15)10(13)12(16)17/h3-7,10H,13H2,1-2H3,(H,16,17)
InChIKeyOPJSFVIJBLYZKW-UHFFFAOYSA-N
XLogP1.70
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid (CID 83895538) is 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid is CC(C)n1cnc2cccc(C(N)C(=O)O)c21.
What is the InChIKey of 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid?
The InChIKey is OPJSFVIJBLYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)15-6-14-9-5-3-4-8(11(9)15)10(13)12(16)17/h3-7,10H,13H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid?
2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid is sourced from PubChem (CID 83895538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).