2-[(1-tert-butylimidazol-2-yl)amino]acetic acid

C9H15N3O2 — CID 115021038

IUPAC2-[(1-tert-butylimidazol-2-yl)amino]acetic acid
SMILESCC(C)(C)n1ccnc1NCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-5-4-10-8(12)11-6-7(13)14/h4-5H,6H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyAITGYDAEVPDXNG-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.13
Rot. Bonds3

About 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid

2-[(1-tert-butylimidazol-2-yl)amino]acetic acid (PubChem CID 115021038) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butylimidazol-2-yl)amino]acetic acid
PubChem CID115021038
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(1-tert-butylimidazol-2-yl)amino]acetic acid
SMILESCC(C)(C)n1ccnc1NCC(=O)O
InChIInChI=1S/C9H15N3O2/c1-9(2,3)12-5-4-10-8(12)11-6-7(13)14/h4-5H,6H2,1-3H3,(H,10,11)(H,13,14)
InChIKeyAITGYDAEVPDXNG-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid (CID 115021038) is 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid is CC(C)(C)n1ccnc1NCC(=O)O.
What is the InChIKey of 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid?
The InChIKey is AITGYDAEVPDXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)12-5-4-10-8(12)11-6-7(13)14/h4-5H,6H2,1-3H3,(H,10,11)(H,13,14).
What are the key properties of 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid?
2-[(1-tert-butylimidazol-2-yl)amino]acetic acid has a molecular weight of 197.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 115021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).