2-(3-oxomorpholin-4-yl)propanoic acid

C7H11NO4 — CID 79468110

IUPAC2-(3-oxomorpholin-4-yl)propanoic acid
SMILESCC(C(=O)O)N1CCOCC1=O
InChIInChI=1S/C7H11NO4/c1-5(7(10)11)8-2-3-12-4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyTWCJCKIDASUZJX-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.68
Rot. Bonds2

About 2-(3-oxomorpholin-4-yl)propanoic acid

2-(3-oxomorpholin-4-yl)propanoic acid (PubChem CID 79468110) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-oxomorpholin-4-yl)propanoic acid
PubChem CID79468110
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(3-oxomorpholin-4-yl)propanoic acid
SMILESCC(C(=O)O)N1CCOCC1=O
InChIInChI=1S/C7H11NO4/c1-5(7(10)11)8-2-3-12-4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyTWCJCKIDASUZJX-UHFFFAOYSA-N
XLogP-0.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)propanoic acid?
The IUPAC name of 2-(3-oxomorpholin-4-yl)propanoic acid (CID 79468110) is 2-(3-oxomorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-oxomorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-(3-oxomorpholin-4-yl)propanoic acid is CC(C(=O)O)N1CCOCC1=O.
What is the InChIKey of 2-(3-oxomorpholin-4-yl)propanoic acid?
The InChIKey is TWCJCKIDASUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(7(10)11)8-2-3-12-4-6(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(3-oxomorpholin-4-yl)propanoic acid?
2-(3-oxomorpholin-4-yl)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxomorpholin-4-yl)propanoic acid is sourced from PubChem (CID 79468110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).