2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid

C11H19N3O2 — CID 22352289

IUPAC2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
SMILESCC(C)CCn1cnc(CC(N)C(=O)O)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)3-4-14-6-9(13-7-14)5-10(12)11(15)16/h6-8,10H,3-5,12H2,1-2H3,(H,15,16)
InChIKeyRFYAZASFSWOTAV-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid

2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid (PubChem CID 22352289) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
PubChem CID22352289
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
SMILESCC(C)CCn1cnc(CC(N)C(=O)O)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)3-4-14-6-9(13-7-14)5-10(12)11(15)16/h6-8,10H,3-5,12H2,1-2H3,(H,15,16)
InChIKeyRFYAZASFSWOTAV-UHFFFAOYSA-N
XLogP0.88
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid (CID 22352289) is 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid is CC(C)CCn1cnc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid?
The InChIKey is RFYAZASFSWOTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)3-4-14-6-9(13-7-14)5-10(12)11(15)16/h6-8,10H,3-5,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid?
2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid has a molecular weight of 225.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid is sourced from PubChem (CID 22352289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).