3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate

C9H14NO5- — CID 4572762

IUPAC3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O
InChIInChI=1S/C9H15NO5/c1-8(2)9(3,14)10(7(13)15-8)5-4-6(11)12/h14H,4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyLSJGAPQHAWWMJG-UHFFFAOYSA-M
MW216.21 g/mol
LogP-0.93
Rot. Bonds3

About 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate

3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate (PubChem CID 4572762) has the molecular formula C9H14NO5- and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate.

Molecular Properties

Compound Name3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
PubChem CID4572762
Molecular FormulaC9H14NO5-
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O
InChIInChI=1S/C9H15NO5/c1-8(2)9(3,14)10(7(13)15-8)5-4-6(11)12/h14H,4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyLSJGAPQHAWWMJG-UHFFFAOYSA-M
XLogP-0.93
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate?
The IUPAC name of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate (CID 4572762) is 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate.
What is the SMILES notation for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate?
The canonical SMILES for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate is CC1(C)OC(=O)N(CCC(=O)[O-])C1(C)O.
What is the InChIKey of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate?
The InChIKey is LSJGAPQHAWWMJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NO5/c1-8(2)9(3,14)10(7(13)15-8)5-4-6(11)12/h14H,4-5H2,1-3H3,(H,11,12)/p-1.
What are the key properties of 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate?
3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate has a molecular weight of 216.21 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate is sourced from PubChem (CID 4572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).