4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid

C8H12N2O3 — CID 82601922

IUPAC4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
SMILESCc1oncc1C(N)CCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-10-13-5)7(9)2-3-8(11)12/h4,7H,2-3,9H2,1H3,(H,11,12)
InChIKeyUXTPSAMVHJPQMN-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid

4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid (PubChem CID 82601922) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
PubChem CID82601922
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
SMILESCc1oncc1C(N)CCC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-10-13-5)7(9)2-3-8(11)12/h4,7H,2-3,9H2,1H3,(H,11,12)
InChIKeyUXTPSAMVHJPQMN-UHFFFAOYSA-N
XLogP0.85
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid?
The IUPAC name of 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid (CID 82601922) is 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid is Cc1oncc1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid?
The InChIKey is UXTPSAMVHJPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(4-10-13-5)7(9)2-3-8(11)12/h4,7H,2-3,9H2,1H3,(H,11,12).
What are the key properties of 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid?
4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid is sourced from PubChem (CID 82601922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).