3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid

C11H17NO6 — CID 11139806

IUPAC3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CCC(=O)O
InChIInChI=1S/C11H17NO6/c1-11(2,3)18-10(16)12-6-17-9(15)7(12)4-5-8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyQKWOATWJENTOJE-ZETCQYMHSA-N
MW259.26 g/mol
LogP0.97
Rot. Bonds3

About 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid

3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid (PubChem CID 11139806) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
PubChem CID11139806
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CCC(=O)O
InChIInChI=1S/C11H17NO6/c1-11(2,3)18-10(16)12-6-17-9(15)7(12)4-5-8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyQKWOATWJENTOJE-ZETCQYMHSA-N
XLogP0.97
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid (CID 11139806) is 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid is CC(C)(C)OC(=O)N1COC(=O)[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
The InChIKey is QKWOATWJENTOJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17NO6/c1-11(2,3)18-10(16)12-6-17-9(15)7(12)4-5-8(13)14/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid?
3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 11139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).