2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid

C10H17NO4 — CID 143579358

IUPAC2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid
SMILESCCC1(CC)OCCN(CC(=O)O)C1=O
InChIInChI=1S/C10H17NO4/c1-3-10(4-2)9(14)11(5-6-15-10)7-8(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGZNVCGQPTGUXKX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds4

About 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid

2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid (PubChem CID 143579358) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid
PubChem CID143579358
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid
SMILESCCC1(CC)OCCN(CC(=O)O)C1=O
InChIInChI=1S/C10H17NO4/c1-3-10(4-2)9(14)11(5-6-15-10)7-8(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyGZNVCGQPTGUXKX-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid?
The IUPAC name of 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid (CID 143579358) is 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid?
The canonical SMILES for 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid is CCC1(CC)OCCN(CC(=O)O)C1=O.
What is the InChIKey of 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid?
The InChIKey is GZNVCGQPTGUXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-10(4-2)9(14)11(5-6-15-10)7-8(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid?
2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethyl-3-oxomorpholin-4-yl)acetic acid is sourced from PubChem (CID 143579358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).