(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'}

Analyze (2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,7-dioxoazepan-1-yl)pentanedioic acid
CID 60829501
tetrasodium;4-[(3-carboxylato-1-oxidopropyl)amino]-4-oxidobutanoate
CID 14009399
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095
(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
CID 96905556
disodium;2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]butanedioate
CID 10266048
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
CID 142287139
(2R)-2-hydroxypentanedioate
CID 5460200
4-(2,5-dioxopyrrolidin-1-yl)-4-sulfobutanoic acid
CID 170315067
disodium;2-acetamidopentanedioate
CID 18539436
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
2-bromopentanedioate
CID 18539512
disodium;(2S)-2-hydroxypentanedioate
CID 56845267

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).