4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid

C10H20N2O3 — CID 61001537

IUPAC4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid
SMILESCN(C)CCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-12(2)6-5-11-10(9(13)14)3-7-15-8-4-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyLANNXKFXQRUCCR-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.23
Rot. Bonds5

About 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid

4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid (PubChem CID 61001537) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid
PubChem CID61001537
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid
SMILESCN(C)CCNC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-12(2)6-5-11-10(9(13)14)3-7-15-8-4-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyLANNXKFXQRUCCR-UHFFFAOYSA-N
XLogP-0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid (CID 61001537) is 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid is CN(C)CCNC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid?
The InChIKey is LANNXKFXQRUCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12(2)6-5-11-10(9(13)14)3-7-15-8-4-10/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid?
4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 61001537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).