2-(3,5-dioxomorpholin-4-yl)propanoic acid

C7H9NO5 — CID 61327379

IUPAC2-(3,5-dioxomorpholin-4-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C7H9NO5/c1-4(7(11)12)8-5(9)2-13-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyYQUVUULKZMZFRC-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.16
Rot. Bonds2

About 2-(3,5-dioxomorpholin-4-yl)propanoic acid

2-(3,5-dioxomorpholin-4-yl)propanoic acid (PubChem CID 61327379) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(3,5-dioxomorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,5-dioxomorpholin-4-yl)propanoic acid
PubChem CID61327379
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-(3,5-dioxomorpholin-4-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)COCC1=O
InChIInChI=1S/C7H9NO5/c1-4(7(11)12)8-5(9)2-13-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyYQUVUULKZMZFRC-UHFFFAOYSA-N
XLogP-1.16
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxomorpholin-4-yl)propanoic acid?
The IUPAC name of 2-(3,5-dioxomorpholin-4-yl)propanoic acid (CID 61327379) is 2-(3,5-dioxomorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-(3,5-dioxomorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-(3,5-dioxomorpholin-4-yl)propanoic acid is CC(C(=O)O)N1C(=O)COCC1=O.
What is the InChIKey of 2-(3,5-dioxomorpholin-4-yl)propanoic acid?
The InChIKey is YQUVUULKZMZFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-4(7(11)12)8-5(9)2-13-3-6(8)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(3,5-dioxomorpholin-4-yl)propanoic acid?
2-(3,5-dioxomorpholin-4-yl)propanoic acid has a molecular weight of 187.15 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxomorpholin-4-yl)propanoic acid is sourced from PubChem (CID 61327379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).