3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid

C10H14N2O3 — CID 84677644

IUPAC3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid
SMILESNc1onc(C2CCC2)c1CCC(=O)O
InChIInChI=1S/C10H14N2O3/c11-10-7(4-5-8(13)14)9(12-15-10)6-2-1-3-6/h6H,1-5,11H2,(H,13,14)
InChIKeyWLDYLVBUFAFRCD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.54
Rot. Bonds4

About 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid

3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 84677644) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID84677644
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid
SMILESNc1onc(C2CCC2)c1CCC(=O)O
InChIInChI=1S/C10H14N2O3/c11-10-7(4-5-8(13)14)9(12-15-10)6-2-1-3-6/h6H,1-5,11H2,(H,13,14)
InChIKeyWLDYLVBUFAFRCD-UHFFFAOYSA-N
XLogP1.54
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid
CID 84668217
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
2-(3-cyclobutyl-1,2-benzoxazol-7-yl)acetic acid
CID 105489089
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
CID 117123276
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 54977909
3-amino-5-cyclobutyl-1,2-oxazole-4-carboxylic acid
CID 105439905

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid (CID 84677644) is 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid is Nc1onc(C2CCC2)c1CCC(=O)O.
What is the InChIKey of 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is WLDYLVBUFAFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-10-7(4-5-8(13)14)9(12-15-10)6-2-1-3-6/h6H,1-5,11H2,(H,13,14).
What are the key properties of 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid?
3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-cyclobutyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 84677644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).