2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid

C10H17N3O2 — CID 62131479

IUPAC2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nccn1C
InChIInChI=1S/C10H17N3O2/c1-4-8(2)13(7-9(14)15)10-11-5-6-12(10)3/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyRRXYKFQXFPLQCZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds5

About 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid

2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid (PubChem CID 62131479) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
PubChem CID62131479
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nccn1C
InChIInChI=1S/C10H17N3O2/c1-4-8(2)13(7-9(14)15)10-11-5-6-12(10)3/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyRRXYKFQXFPLQCZ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid (CID 62131479) is 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1nccn1C.
What is the InChIKey of 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid?
The InChIKey is RRXYKFQXFPLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8(2)13(7-9(14)15)10-11-5-6-12(10)3/h5-6,8H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid?
2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 62131479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).