4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one

C8H14N2O2 — CID 18657856

IUPAC4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC([C@@H]2C[C@@H](O)CN2)CN1
InChIInChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1
InChIKeyGMINVDDTTRFBNJ-FWPZAIACSA-N
MW170.21 g/mol
LogP-1.15
Rot. Bonds1

About 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one

4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one (PubChem CID 18657856) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
PubChem CID18657856
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC([C@@H]2C[C@@H](O)CN2)CN1
InChIInChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1
InChIKeyGMINVDDTTRFBNJ-FWPZAIACSA-N
XLogP-1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
CID 10535493
(4R)-4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]piperidin-2-one
CID 10749987
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
4-hydroxypyrrolidin-2-one;propane
CID 169229949
(5S)-5-hydroxypiperidin-2-one
CID 10964456
acetic acid;4-hydroxypyrrolidin-2-one
CID 67821744
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139
5-[(1S,2S,3R,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 123662811
4-amino-5-hydroxypiperidin-2-one
CID 131579230
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
[(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S,5S)-5-(5-oxopyrrolidin-3-yl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-en-2-yl] hydrogen carbonate
CID 67750294
(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one
CID 175949992

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one (CID 18657856) is 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one is O=C1CC([C@@H]2C[C@@H](O)CN2)CN1.
What is the InChIKey of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The InChIKey is GMINVDDTTRFBNJ-FWPZAIACSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1.
What are the key properties of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18657856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).