2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid

C9H15N3O2 — CID 65439893

IUPAC2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid
SMILESCC(C)n1cncc1CC(N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(12)3-8(10)9(13)14/h4-6,8H,3,10H2,1-2H3,(H,13,14)
InChIKeySLXUVYWUDYIOLU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.42
Rot. Bonds4

About 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid

2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid (PubChem CID 65439893) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid
PubChem CID65439893
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid
SMILESCC(C)n1cncc1CC(N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(12)3-8(10)9(13)14/h4-6,8H,3,10H2,1-2H3,(H,13,14)
InChIKeySLXUVYWUDYIOLU-UHFFFAOYSA-N
XLogP0.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid (CID 65439893) is 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid is CC(C)n1cncc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid?
The InChIKey is SLXUVYWUDYIOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)12-5-11-4-7(12)3-8(10)9(13)14/h4-6,8H,3,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid?
2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-propan-2-ylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 65439893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).