4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

C14H24N2O5 — CID 66250353

IUPAC4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-10-6-21-9(2)5-16(10)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyICKZXUZKXVYESN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.69
Rot. Bonds3

About 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250353) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250353
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-10-6-21-9(2)5-16(10)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyICKZXUZKXVYESN-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66250353) is 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is CCC1COC(C)CN1C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is ICKZXUZKXVYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-10-6-21-9(2)5-16(10)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).