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

C8H12NO5- — CID 4243422

IUPAC2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
SMILESCC1(C)OC(=O)N(CC(=O)[O-])C1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1
InChIKeyLCOQHVMIPOQRHJ-UHFFFAOYSA-M
MW202.19 g/mol
LogP-1.32
Rot. Bonds2

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

2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate (PubChem CID 4243422) has the molecular formula C8H12NO5- and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate.

Molecular Properties

Compound Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
PubChem CID4243422
Molecular FormulaC8H12NO5-
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
SMILESCC1(C)OC(=O)N(CC(=O)[O-])C1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1
InChIKeyLCOQHVMIPOQRHJ-UHFFFAOYSA-M
XLogP-1.32
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 5133683
4-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)butanoic acid
CID 4362033
3-Cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 536404
(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 3438402
2-(4-Hydroxy-2-oxo-4,5,5-trimethyl-3-oxazolidinyl)propionic acid
CID 5129769
3-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 4572762
2-(4-Hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 5129768
Sodium 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate
CID 44118637
tert-butyl 2-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 147470246
tert-butyl 2-[(5S)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 147470247
(4S)-4-hydroxy-3-(2-hydroxyethyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 684523
(4S)-3-cyclopropyl-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 705471

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The IUPAC name of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate (CID 4243422) is 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate.
What is the SMILES notation for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The canonical SMILES for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate is CC1(C)OC(=O)N(CC(=O)[O-])C1(C)O.
What is the InChIKey of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
The InChIKey is LCOQHVMIPOQRHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1.
What are the key properties of 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate?
2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate has a molecular weight of 202.19 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)acetate is sourced from PubChem (CID 4243422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).