ethane;4-ethylmorpholine-2-carboxylic acid

C9H19NO3 — CID 145401356

IUPACethane;4-ethylmorpholine-2-carboxylic acid
SMILESCC.CCN1CCOC(C(=O)O)C1
InChIInChI=1S/C7H13NO3.C2H6/c1-2-8-3-4-11-6(5-8)7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyXRFQMRHAQVBCNL-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.82
Rot. Bonds2

About ethane;4-ethylmorpholine-2-carboxylic acid

ethane;4-ethylmorpholine-2-carboxylic acid (PubChem CID 145401356) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;4-ethylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;4-ethylmorpholine-2-carboxylic acid
PubChem CID145401356
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;4-ethylmorpholine-2-carboxylic acid
SMILESCC.CCN1CCOC(C(=O)O)C1
InChIInChI=1S/C7H13NO3.C2H6/c1-2-8-3-4-11-6(5-8)7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyXRFQMRHAQVBCNL-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylmorpholine-2-carboxylic acid?
The IUPAC name of ethane;4-ethylmorpholine-2-carboxylic acid (CID 145401356) is ethane;4-ethylmorpholine-2-carboxylic acid.
What is the SMILES notation for ethane;4-ethylmorpholine-2-carboxylic acid?
The canonical SMILES for ethane;4-ethylmorpholine-2-carboxylic acid is CC.CCN1CCOC(C(=O)O)C1.
What is the InChIKey of ethane;4-ethylmorpholine-2-carboxylic acid?
The InChIKey is XRFQMRHAQVBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-2-8-3-4-11-6(5-8)7(9)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;4-ethylmorpholine-2-carboxylic acid?
ethane;4-ethylmorpholine-2-carboxylic acid has a molecular weight of 189.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylmorpholine-2-carboxylic acid is sourced from PubChem (CID 145401356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).