amino 3-(2,5-dioxopyrrol-1-yl)propanoate

C7H8N2O4 — CID 89150560

IUPACamino 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESNOC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4,8H2
InChIKeyUIKNDOUJHRDNSD-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.28
Rot. Bonds3

About amino 3-(2,5-dioxopyrrol-1-yl)propanoate

amino 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 89150560) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is amino 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Nameamino 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID89150560
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameamino 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESNOC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4,8H2
InChIKeyUIKNDOUJHRDNSD-UHFFFAOYSA-N
XLogP-1.28
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of amino 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 89150560) is amino 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for amino 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for amino 3-(2,5-dioxopyrrol-1-yl)propanoate is NOC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of amino 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is UIKNDOUJHRDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-13-7(12)3-4-9-5(10)1-2-6(9)11/h1-2H,3-4,8H2.
What are the key properties of amino 3-(2,5-dioxopyrrol-1-yl)propanoate?
amino 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 184.15 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 89150560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).