(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one

C4H7NO2 — CID 175949992

IUPAC(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one
SMILES[2H][C@@H]1C(=O)NC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1/i1D/t1-,3+/m0
InChIKeyIOGISYQVOGVIEU-VYCPELCBSA-N
MW102.11 g/mol
LogP-1.13
Rot. Bonds

About (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one

(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one (PubChem CID 175949992) has the molecular formula C4H7NO2 and a molecular weight of 102.11 g/mol. Its IUPAC name is (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one
PubChem CID175949992
Molecular FormulaC4H7NO2
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one
SMILES[2H][C@@H]1C(=O)NC[C@@H]1O
InChIInChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1/i1D/t1-,3+/m0
InChIKeyIOGISYQVOGVIEU-VYCPELCBSA-N
XLogP-1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-hydroxypiperidin-2-one
CID 10964456
4-hydroxypyrrolidin-2-one;propane
CID 169229949
acetic acid;4-hydroxypyrrolidin-2-one
CID 67821744
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
(3R)-3-hydroxyazetidin-2-one
CID 97184618
3-amino-5-hydroxypiperidin-2-one
CID 54333644
4-amino-5-hydroxypiperidin-2-one
CID 131579230
5-hydroxy-4,4-dimethylpiperidin-2-one
CID 136574844
4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
CID 18657856
(1R,6S,7R,8S,9R,14S,15R,16S,17R,22S,23R,24S,25R,30S,31R,32S)-7,8,15,16,23,24,31,32-octahydroxy-33,34,35,36-tetraoxa-3,11,19,27-tetrazapentacyclo[28.2.1.16,9.114,17.122,25]hexatriacontane-4,12,20,28-tetrone
CID 11735115
(4R)-4-methoxypyrrolidin-2-one
CID 67765203
2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-3-ium-5-ol
CID 22974477

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one (CID 175949992) is (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one is [2H][C@@H]1C(=O)NC[C@@H]1O.
What is the InChIKey of (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one?
The InChIKey is IOGISYQVOGVIEU-VYCPELCBSA-N. The full InChI is InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1/i1D/t1-,3+/m0.
What are the key properties of (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one?
(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one has a molecular weight of 102.11 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 175949992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).