(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate

C9H9NO6-2 — CID 7039487

IUPAC(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate
SMILESO=C([O-])CC[C@H](C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h5H,1-4H2,(H,13,14)(H,15,16)/p-2/t5-/m1/s1
InChIKeyVVPXCQJEIWWMEH-RXMQYKEDSA-L
MW227.17 g/mol
LogP-3.22
Rot. Bonds5

About (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate

(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate (PubChem CID 7039487) has the molecular formula C9H9NO6-2 and a molecular weight of 227.17 g/mol. Its IUPAC name is (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate.

Molecular Properties

Compound Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate
PubChem CID7039487
Molecular FormulaC9H9NO6-2
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate
SMILESO=C([O-])CC[C@H](C(=O)[O-])N1C(=O)CCC1=O
InChIInChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h5H,1-4H2,(H,13,14)(H,15,16)/p-2/t5-/m1/s1
InChIKeyVVPXCQJEIWWMEH-RXMQYKEDSA-L
XLogP-3.22
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-3.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate?
The IUPAC name of (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate (CID 7039487) is (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate.
What is the SMILES notation for (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate?
The canonical SMILES for (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate is O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)CCC1=O.
What is the InChIKey of (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate?
The InChIKey is VVPXCQJEIWWMEH-RXMQYKEDSA-L. The full InChI is InChI=1S/C9H11NO6/c11-6-2-3-7(12)10(6)5(9(15)16)1-4-8(13)14/h5H,1-4H2,(H,13,14)(H,15,16)/p-2/t5-/m1/s1.
What are the key properties of (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate?
(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate has a molecular weight of 227.17 g/mol, XLogP of -3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate is sourced from PubChem (CID 7039487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).