(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate

C6H8INO4 — CID 148605388

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
SMILESO=C(CI)ON1C(=O)CCC1O
InChIInChI=1S/C6H8INO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h4,9H,1-3H2
InChIKeyNDHMPKAZHZPSNU-UHFFFAOYSA-N
MW285.04 g/mol
LogP-0.18
Rot. Bonds2

About (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate

(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate (PubChem CID 148605388) has the molecular formula C6H8INO4 and a molecular weight of 285.04 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
PubChem CID148605388
Molecular FormulaC6H8INO4
Molecular Weight285.04 g/mol
Exact Mass284.95
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
SMILESO=C(CI)ON1C(=O)CCC1O
InChIInChI=1S/C6H8INO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h4,9H,1-3H2
InChIKeyNDHMPKAZHZPSNU-UHFFFAOYSA-N
XLogP-0.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodoethyl carbonate
CID 156562908
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(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) 3-(butanoylamino)propanoate
CID 129151276
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 155350859
(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) 3-(1-azacyclohepta-2,7-dien-5-yn-2-yldisulfanyl)propanoate
CID 153021661
(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
CID 126576248
(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

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate (CID 148605388) is (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate is O=C(CI)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate?
The InChIKey is NDHMPKAZHZPSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h4,9H,1-3H2.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate?
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate has a molecular weight of 285.04 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate is sourced from PubChem (CID 148605388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).