3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one

C6H9NO4 — CID 71425573

IUPAC3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O)C(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO4/c1-4(8)5(9)7-2-3-11-6(7)10/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyUQSLVLIPWYTJQQ-BYPYZUCNSA-N
MW159.14 g/mol
LogP-0.65
Rot. Bonds1

About 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one

3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 71425573) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID71425573
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O)C(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO4/c1-4(8)5(9)7-2-3-11-6(7)10/h4,8H,2-3H2,1H3/t4-/m0/s1
InChIKeyUQSLVLIPWYTJQQ-BYPYZUCNSA-N
XLogP-0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one (CID 71425573) is 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one is C[C@H](O)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is UQSLVLIPWYTJQQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)5(9)7-2-3-11-6(7)10/h4,8H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one?
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 159.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71425573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).