4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid

C11H19NO3 — CID 62390479

IUPAC4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
SMILESCN(CC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C11H19NO3/c1-12(9-2-3-9)8-11(10(13)14)4-6-15-7-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyHJYXMOCFTGUUPD-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid

4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 62390479) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID62390479
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid
SMILESCN(CC1(C(=O)O)CCOCC1)C1CC1
InChIInChI=1S/C11H19NO3/c1-12(9-2-3-9)8-11(10(13)14)4-6-15-7-5-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyHJYXMOCFTGUUPD-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid (CID 62390479) is 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid is CN(CC1(C(=O)O)CCOCC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is HJYXMOCFTGUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(9-2-3-9)8-11(10(13)14)4-6-15-7-5-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid?
4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(methyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 62390479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).