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

C10H19NO4 — CID 66235588

IUPAC4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCCC(O)CN(C)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(12)4-11(2)9-6-15-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyIOFROGWBFSSLOP-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.21
Rot. Bonds5

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

4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235588) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID66235588
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCCC(O)CN(C)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-7(12)4-11(2)9-6-15-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyIOFROGWBFSSLOP-UHFFFAOYSA-N
XLogP-0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid (CID 66235588) is 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid is CCC(O)CN(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IOFROGWBFSSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-7(12)4-11(2)9-6-15-5-8(9)10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxybutyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).