4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid

C11H19NO4 — CID 66238015

IUPAC4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCOC1)C1COCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-12(4-8-2-3-15-5-8)10-7-16-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyAHUHRESCZSDNRY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.05
Rot. Bonds4

About 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid

4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66238015) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
PubChem CID66238015
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCOC1)C1COCC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-12(4-8-2-3-15-5-8)10-7-16-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyAHUHRESCZSDNRY-UHFFFAOYSA-N
XLogP0.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[(4-tert-butylcyclohexyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 104576053
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
CID 107530385
4-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 104768941
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
CID 122236959
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid (CID 66238015) is 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid is CN(CC1CCOC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is AHUHRESCZSDNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12(4-8-2-3-15-5-8)10-7-16-6-9(10)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid?
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).