2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid

C9H14N2O3 — CID 83853063

IUPAC2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)CC(N)c1ncc(C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-5(2)3-6(10)8-11-4-7(14-8)9(12)13/h4-6H,3,10H2,1-2H3,(H,12,13)
InChIKeyGBXLFGLTSVDWCI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.42
Rot. Bonds4

About 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid

2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 83853063) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
PubChem CID83853063
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)CC(N)c1ncc(C(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-5(2)3-6(10)8-11-4-7(14-8)9(12)13/h4-6H,3,10H2,1-2H3,(H,12,13)
InChIKeyGBXLFGLTSVDWCI-UHFFFAOYSA-N
XLogP1.42
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid (CID 83853063) is 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid is CC(C)CC(N)c1ncc(C(=O)O)o1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is GBXLFGLTSVDWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)3-6(10)8-11-4-7(14-8)9(12)13/h4-6H,3,10H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid?
2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 83853063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).