(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate

C14H15N3O7 — CID 88917925

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O7/c18-9(6-8-16-10(19)1-2-11(16)20)15-7-5-14(23)24-17-12(21)3-4-13(17)22/h1-2H,3-8H2,(H,15,18)
InChIKeyOXBWYBQHQLKBDH-UHFFFAOYSA-N
MW337.29 g/mol
LogP-1.59
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate (PubChem CID 88917925) has the molecular formula C14H15N3O7 and a molecular weight of 337.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate
PubChem CID88917925
Molecular FormulaC14H15N3O7
Molecular Weight337.29 g/mol
Exact Mass337.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate
SMILESO=C(CCN1C(=O)C=CC1=O)NCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15N3O7/c18-9(6-8-16-10(19)1-2-11(16)20)15-7-5-14(23)24-17-12(21)3-4-13(17)22/h1-2H,3-8H2,(H,15,18)
InChIKeyOXBWYBQHQLKBDH-UHFFFAOYSA-N
XLogP-1.59
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
N-Succinimidyl 6-(3-Maleimidopropionamido) Hexanoate
CID 4170355
(2,5-Dioxopyrrolidin-1-yl) 4-(prop-2-enoylamino)butanoate
CID 11161120
2,5-Dioxopyrrolidin-1-yl N-acryloyl-beta-alaninate
CID 15576771
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
(2,5-Dioxopyrrolidin-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 23166843
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 23506201
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
Mal-GGG-Bal-NHS ester
CID 57945503
3-(2,5-Dioxopyrrol-1-yl)propanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66895472
Acetonitrile;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 87930241

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate (CID 88917925) is (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate is O=C(CCN1C(=O)C=CC1=O)NCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate?
The InChIKey is OXBWYBQHQLKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O7/c18-9(6-8-16-10(19)1-2-11(16)20)15-7-5-14(23)24-17-12(21)3-4-13(17)22/h1-2H,3-8H2,(H,15,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate has a molecular weight of 337.29 g/mol, XLogP of -1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanoate is sourced from PubChem (CID 88917925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).