(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate

C9H13NO4 — CID 15356333

IUPAC(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO4/c1-3-6(2)9(13)14-10-7(11)4-5-8(10)12/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDKXIKPOYTWCGIE-LURJTMIESA-N
MW199.21 g/mol
LogP0.64
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate

(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate (PubChem CID 15356333) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate
PubChem CID15356333
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO4/c1-3-6(2)9(13)14-10-7(11)4-5-8(10)12/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDKXIKPOYTWCGIE-LURJTMIESA-N
XLogP0.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate (CID 15356333) is (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate is CC[C@H](C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate?
The InChIKey is DKXIKPOYTWCGIE-LURJTMIESA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-6(2)9(13)14-10-7(11)4-5-8(10)12/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate?
(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate has a molecular weight of 199.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2S)-2-methylbutanoate is sourced from PubChem (CID 15356333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).