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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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).