(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

C8H15NO4 — CID 684523

IUPAC(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCO)[C@@]1(C)O
InChIInChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyIZNZNNWTHZKELZ-QMMMGPOBSA-N
MW189.21 g/mol
LogP-0.08
Rot. Bonds2

About (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 684523) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID684523
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(CCO)[C@@]1(C)O
InChIInChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyIZNZNNWTHZKELZ-QMMMGPOBSA-N
XLogP-0.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Compound 10
CID 13329883
3-(1,1-Dimethylethyl)-5-(hydroxymethyl)oxazolidin-2-one
CID 2802885
5-(Hydroxymethyl)-3-(1-methylethyl)oxazolidin-2-one
CID 2793992
rac-tert-butyl (3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate
CID 14948608
Tert-butyl 3-(hydroxymethyl)-3-methoxypyrrolidine-1-carboxylate
CID 105489501
5-Ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 5133684
2-Oxazolidinone, 5-(hydroxymethyl)-3-(1-methylethyl)-, (S)-
CID 10877402
3-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanenitrile
CID 4579034
4-Hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5133683
AC1Mdpnd
CID 2793788
tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 54052542
Tert-butyl 4-hydroxy-3-methoxy-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 156563420

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 684523) is (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(CCO)[C@@]1(C)O.
What is the InChIKey of (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is IZNZNNWTHZKELZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO4/c1-7(2)8(3,12)9(4-5-10)6(11)13-7/h10,12H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 189.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 684523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).