4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C8H15NO4 — CID 22352321

IUPAC4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CCO)N1C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2)9(7(11)12)6(3-4-10)5-13-8/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDDVFXUNIODWGOB-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.48
Rot. Bonds2

About 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22352321) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID22352321
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC1(C)OCC(CCO)N1C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2)9(7(11)12)6(3-4-10)5-13-8/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDDVFXUNIODWGOB-UHFFFAOYSA-N
XLogP0.48
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10847957
(R)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053464
(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053463
tert-Butyl (4R)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10658013
Tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14409442
Tert-butyl 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 21747935
rac-tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 39871810
1,1-Dimethylethyl 4-(hydroxymethyl)-2,2,5-trimethyl-3-oxazolidinecarboxylate
CID 43810964
(4S,5R)-tert-Butyl 4-(hydroxymethyl)-2,2,5-trimethyloxazolidine-3-carboxylate
CID 39871812
(4S)-2,2-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-oxazolidine-3-carboxylic acid
CID 118413066

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 22352321) is 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC1(C)OCC(CCO)N1C(=O)O.
What is the InChIKey of 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is DDVFXUNIODWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2)9(7(11)12)6(3-4-10)5-13-8/h6,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22352321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).