(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium

C21H25N6O10U- — CID 145224385

IUPAC(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)ON1C(=O)[CH-]CC1=O.[U]
InChIInChI=1S/C21H25N6O10.U/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35;/h3-5H,1-2,6-12H2,(H,22,29)(H,23,28)(H,24,31)(H,25,30);/q-1;
InChIKeyNTCUHDUSQJTKAZ-UHFFFAOYSA-N
MW759.49 g/mol
LogP-4.03
Rot. Bonds14

About (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium

(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium (PubChem CID 145224385) has the molecular formula C21H25N6O10U- and a molecular weight of 759.49 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium
PubChem CID145224385
Molecular FormulaC21H25N6O10U-
Molecular Weight759.49 g/mol
Exact Mass759.21
IUPAC Name(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium
SMILESO=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)ON1C(=O)[CH-]CC1=O.[U]
InChIInChI=1S/C21H25N6O10.U/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35;/h3-5H,1-2,6-12H2,(H,22,29)(H,23,28)(H,24,31)(H,25,30);/q-1;
InChIKeyNTCUHDUSQJTKAZ-UHFFFAOYSA-N
XLogP-4.03
TPSA217.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500759.49
LogP ≤ 5-4.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium?
The IUPAC name of (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium (CID 145224385) is (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium.
What is the SMILES notation for (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium?
The canonical SMILES for (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium is O=C(CCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCC(=O)ON1C(=O)[CH-]CC1=O.[U].
What is the InChIKey of (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium?
The InChIKey is NTCUHDUSQJTKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N6O10.U/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35;/h3-5H,1-2,6-12H2,(H,22,29)(H,23,28)(H,24,31)(H,25,30);/q-1;.
What are the key properties of (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium?
(2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium has a molecular weight of 759.49 g/mol, XLogP of -4.03, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-4-id-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate;uranium is sourced from PubChem (CID 145224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).