(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol

C14H17N3O3 — CID 52945201

IUPAC(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cccc2nccnc12
InChIInChI=1S/C14H17N3O3/c18-8-11-14(20)12(19)7-17(11)6-9-2-1-3-10-13(9)16-5-4-15-10/h1-5,11-12,14,18-20H,6-8H2/t11-,12+,14-/m1/s1
InChIKeyRGFKDZKRCZZLFN-MBNYWOFBSA-N
MW275.31 g/mol
LogP-0.47
Rot. Bonds3

About (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol

(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol (PubChem CID 52945201) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol
PubChem CID52945201
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol
SMILESOC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cccc2nccnc12
InChIInChI=1S/C14H17N3O3/c18-8-11-14(20)12(19)7-17(11)6-9-2-1-3-10-13(9)16-5-4-15-10/h1-5,11-12,14,18-20H,6-8H2/t11-,12+,14-/m1/s1
InChIKeyRGFKDZKRCZZLFN-MBNYWOFBSA-N
XLogP-0.47
TPSA89.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2r,3r,4s)-2-(Hydroxymethyl)-1-(Quinolin-8-Ylmethyl)pyrrolidine-3,4-Diol
CID 24894045
2-[1-(3-Methylbut-2-en-1-yl)-4-(quinoxalin-5-ylmethyl)piperazin-2-yl]ethanol
CID 16188143
(2R,3R,4S)-1-[(4-chloroquinolin-8-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 25225120
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-2-ylmethyl)pyrrolidine-3,4-diol
CID 44568593
(2R,3R,4S)-2-(hydroxymethyl)-1-(isoquinolin-1-ylmethyl)pyrrolidine-3,4-diol
CID 44568622
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-7-ylmethyl)pyrrolidine-3,4-diol
CID 44568623
(2R,3R,4S)-1-[(4-aminoquinolin-8-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 52948494
2-[1-Cyclopentyl-4-(5-quinoxalinylmethyl)-2-piperazinyl]ethanol
CID 16191281
2-[1-Isobutyl-4-(quinoxalin-5-ylmethyl)piperazin-2-yl]ethanol
CID 16191353
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-3-ylmethyl)pyrrolidine-3,4-diol
CID 44568624
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-4-ylmethyl)pyrrolidine-3,4-diol
CID 44568625
(3S,7R)-3-methyl-2-(quinoxalin-6-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225841

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol (CID 52945201) is (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol is OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1cccc2nccnc12.
What is the InChIKey of (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol?
The InChIKey is RGFKDZKRCZZLFN-MBNYWOFBSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-8-11-14(20)12(19)7-17(11)6-9-2-1-3-10-13(9)16-5-4-15-10/h1-5,11-12,14,18-20H,6-8H2/t11-,12+,14-/m1/s1.
What are the key properties of (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol?
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol has a molecular weight of 275.31 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(hydroxymethyl)-1-(quinoxalin-5-ylmethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 52945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).