3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

C11H17NO3 — CID 115060959

IUPAC3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCCC2)=N1
InChIInChI=1S/C11H17NO3/c13-10(14)6-5-9-7-15-11(12-9)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,14)
InChIKeyQCCXJOGRXJEHOM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (PubChem CID 115060959) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
PubChem CID115060959
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCC1COC(C2CCCC2)=N1
InChIInChI=1S/C11H17NO3/c13-10(14)6-5-9-7-15-11(12-9)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,14)
InChIKeyQCCXJOGRXJEHOM-UHFFFAOYSA-N
XLogP1.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-Amino-2-methylpentyl)-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid
CID 153293956
3-(2-Cyclobutyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 115060954
3-(2-Cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 115060964
3-(2-Propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 115061085
3-[2-(2-Methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]propanoic acid
CID 115061111

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (CID 115060959) is 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is O=C(O)CCC1COC(C2CCCC2)=N1.
What is the InChIKey of 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is QCCXJOGRXJEHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10(14)6-5-9-7-15-11(12-9)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,14).
What are the key properties of 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 115060959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).