[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate

C8H11NO5 — CID 89325456

IUPAC[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
SMILESO=CCCC(=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyMDESAHHKBPPZFC-LURJTMIESA-N
MW201.18 g/mol
LogP-0.64
Rot. Bonds4

About [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate

[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate (PubChem CID 89325456) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
PubChem CID89325456
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
SMILESO=CCCC(=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyMDESAHHKBPPZFC-LURJTMIESA-N
XLogP-0.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
(2-hydroxy-5-oxopyrrolidin-1-yl) 5-(2-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
CID 123353535
(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
(2-hydroxy-5-oxopyrrolidin-1-yl) 4-[3-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 153387061
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(1-azacyclohepta-2,7-dien-5-yn-2-yldisulfanyl)propanoate
CID 153021661
(2,5-dioxopyrrolidin-1-yl) 4-(3-oxopropoxy)butanoate
CID 139256325
(2-hydroxy-5-oxopyrrolidin-1-yl) 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate
CID 123517217

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The IUPAC name of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate (CID 89325456) is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate.
What is the SMILES notation for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The canonical SMILES for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate is O=CCCC(=O)ON1C(=O)CC[C@@H]1O.
What is the InChIKey of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The InChIKey is MDESAHHKBPPZFC-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate has a molecular weight of 201.18 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate is sourced from PubChem (CID 89325456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).