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

C10H19NO4 — CID 67188865

IUPAC4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(O)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,14)5-7-6-15-10(3,4)11(7)8(12)13/h7,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyCTMHZPYKJFIUAQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.26
Rot. Bonds2

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

4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67188865) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID67188865
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCC(C)(O)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H19NO4/c1-9(2,14)5-7-6-15-10(3,4)11(7)8(12)13/h7,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyCTMHZPYKJFIUAQ-UHFFFAOYSA-N
XLogP1.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 67188865) is 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is CC(C)(O)CC1COC(C)(C)N1C(=O)O.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is CTMHZPYKJFIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,14)5-7-6-15-10(3,4)11(7)8(12)13/h7,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67188865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).