5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid

C12H23NO4 — CID 82951624

IUPAC5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOCCN(CC1CCC(C(=O)O)O1)C(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)13(6-7-16-3)8-10-4-5-11(17-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKLHCKHGXCMUUER-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.98
Rot. Bonds7

About 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid

5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 82951624) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID82951624
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOCCN(CC1CCC(C(=O)O)O1)C(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)13(6-7-16-3)8-10-4-5-11(17-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyKLHCKHGXCMUUER-UHFFFAOYSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl(2-methoxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298724
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859
5-[[butan-2-yl(ethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62298545
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82952810
5-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]oxolane-2-carboxylic acid
CID 55053936
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
5-[[2-methoxyethyl(methyl)amino]methyl]oxolane-2-carbohydrazide
CID 63577680
5-[[ethyl(2-hydroxyethyl)amino]methyl]oxolane-2-carboxylic acid
CID 62300641
5-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 106038884

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid (CID 82951624) is 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid is COCCN(CC1CCC(C(=O)O)O1)C(C)C.
What is the InChIKey of 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is KLHCKHGXCMUUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(2)13(6-7-16-3)8-10-4-5-11(17-10)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid?
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 82951624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).