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

C9H15NO3 — CID 115061085

IUPAC3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCC(C)C1=NC(CCC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-6(2)9-10-7(5-13-9)3-4-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLXDRVTCPMOHTNX-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds4

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

3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (PubChem CID 115061085) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
PubChem CID115061085
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCC(C)C1=NC(CCC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-6(2)9-10-7(5-13-9)3-4-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyLXDRVTCPMOHTNX-UHFFFAOYSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (CID 115061085) is 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is CC(C)C1=NC(CCC(=O)O)CO1.
What is the InChIKey of 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is LXDRVTCPMOHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)9-10-7(5-13-9)3-4-8(11)12/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 115061085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).