(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one

C12H15NO3 — CID 11600997

IUPAC(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1[C@H](O)[C@@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-10-7-13(12(16)11(10)15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11-/m1/s1
InChIKeyBSJORUDKCIQOCU-GHMZBOCLSA-N
MW221.26 g/mol
LogP-0.00
Rot. Bonds3

About (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one

(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 11600997) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID11600997
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1[C@H](O)[C@@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C12H15NO3/c14-8-10-7-13(12(16)11(10)15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11-/m1/s1
InChIKeyBSJORUDKCIQOCU-GHMZBOCLSA-N
XLogP-0.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-3-amino-1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 156784354
methyl 1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 74066079
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
3-acetyl-1-benzylazetidin-2-one
CID 13222627
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
ethyl (3R,4R,5S)-1-benzyl-5-ethyl-4-hydroxy-2-oxopiperidine-3-carboxylate
CID 102264565
1,6-dibenzyl-3-hydroxy-2,3,4,4a,5,7a-hexahydropyrrolo[3,4-b]pyridin-7-one
CID 134363462
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one (CID 11600997) is (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one is O=C1[C@H](O)[C@@H](CO)CN1Cc1ccccc1.
What is the InChIKey of (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is BSJORUDKCIQOCU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-10-7-13(12(16)11(10)15)6-9-4-2-1-3-5-9/h1-5,10-11,14-15H,6-8H2/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one?
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).