4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid

C8H15NO4 — CID 66235187

IUPAC4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCO)C1COCC1C(=O)O
InChIInChI=1S/C8H15NO4/c1-9(2-3-10)7-5-13-4-6(7)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyZRKYOVSYQJHENA-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.99
Rot. Bonds4

About 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid

4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235187) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235187
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCO)C1COCC1C(=O)O
InChIInChI=1S/C8H15NO4/c1-9(2-3-10)7-5-13-4-6(7)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyZRKYOVSYQJHENA-UHFFFAOYSA-N
XLogP-0.99
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235187) is 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid is CN(CCO)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZRKYOVSYQJHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(2-3-10)7-5-13-4-6(7)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).