(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate

C20H24N5O9P — CID 159381580

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate
SMILESO=C(CCNP(=O)(CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H24N5O9P/c26-14-2-3-15(27)23(14)11-1-13-35(33,22-10-12-24-16(28)4-5-17(24)29)21-9-8-20(32)34-25-18(30)6-7-19(25)31/h2-5H,1,6-13H2,(H2,21,22,33)
InChIKeyNIMONNZWNNEUGR-UHFFFAOYSA-N
MW509.41 g/mol
LogP-1.40
Rot. Bonds13

About (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate (PubChem CID 159381580) has the molecular formula C20H24N5O9P and a molecular weight of 509.41 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate
PubChem CID159381580
Molecular FormulaC20H24N5O9P
Molecular Weight509.41 g/mol
Exact Mass509.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate
SMILESO=C(CCNP(=O)(CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H24N5O9P/c26-14-2-3-15(27)23(14)11-1-13-35(33,22-10-12-24-16(28)4-5-17(24)29)21-9-8-20(32)34-25-18(30)6-7-19(25)31/h2-5H,1,6-13H2,(H2,21,22,33)
InChIKeyNIMONNZWNNEUGR-UHFFFAOYSA-N
XLogP-1.40
TPSA179.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate (CID 159381580) is (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate is O=C(CCNP(=O)(CCCN1C(=O)C=CC1=O)NCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate?
The InChIKey is NIMONNZWNNEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N5O9P/c26-14-2-3-15(27)23(14)11-1-13-35(33,22-10-12-24-16(28)4-5-17(24)29)21-9-8-20(32)34-25-18(30)6-7-19(25)31/h2-5H,1,6-13H2,(H2,21,22,33).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate has a molecular weight of 509.41 g/mol, XLogP of -1.40, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[[[2-(2,5-dioxopyrrol-1-yl)ethylamino]-[3-(2,5-dioxopyrrol-1-yl)propyl]phosphoryl]amino]propanoate is sourced from PubChem (CID 159381580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).