(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate

C10H14N2O5 — CID 121327288

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
SMILESCCCNC(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c1-2-5-11-7(13)6-10(16)17-12-8(14)3-4-9(12)15/h2-6H2,1H3,(H,11,13)
InChIKeyYRZCQMIYLOMPFB-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.49
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate (PubChem CID 121327288) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
PubChem CID121327288
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate
SMILESCCCNC(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c1-2-5-11-7(13)6-10(16)17-12-8(14)3-4-9(12)15/h2-6H2,1H3,(H,11,13)
InChIKeyYRZCQMIYLOMPFB-UHFFFAOYSA-N
XLogP-0.49
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 129271799
N-butyl-2-ethoxyacetamide;(2,5-dioxopyrrolidin-1-yl) 2-ethoxyacetate
CID 162199414
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-5-oxo-5-(propylamino)pentanoate
CID 58840414
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetyl]amino]ethylamino]-2-oxoethoxy]acetate
CID 11092123
CID 89330987
CID 89330987
(2,5-dioxopyrrolidin-1-yl) 2-[(2-chloroacetyl)amino]acetate
CID 131842713
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]-2-oxoethyl]azanide;ethanol;yttrium
CID 169179109
(2,5-dioxopyrrolidin-1-yl) 3-[2-[(E)-6-bromo-4,7-dioxo-7-(propylamino)hept-5-enoxy]ethoxy]propanoate
CID 163825548

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate (CID 121327288) is (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate is CCCNC(=O)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate?
The InChIKey is YRZCQMIYLOMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-2-5-11-7(13)6-10(16)17-12-8(14)3-4-9(12)15/h2-6H2,1H3,(H,11,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate has a molecular weight of 242.23 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-oxo-3-(propylamino)propanoate is sourced from PubChem (CID 121327288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).