6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one

C10H14N2O4 — CID 90963679

IUPAC6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
SMILESNc1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c11-9-2-1-5(10(15)12-9)7-3-6(14)8(4-13)16-7/h1-2,6-8,13-14H,3-4H2,(H3,11,12,15)/t6-,7-,8-/m1/s1
InChIKeyMRKWVVDNYKFGOQ-BWZBUEFSSA-N
MW226.23 g/mol
LogP-0.86
Rot. Bonds2

About 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one

6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one (PubChem CID 90963679) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
PubChem CID90963679
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
SMILESNc1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c11-9-2-1-5(10(15)12-9)7-3-6(14)8(4-13)16-7/h1-2,6-8,13-14H,3-4H2,(H3,11,12,15)/t6-,7-,8-/m1/s1
InChIKeyMRKWVVDNYKFGOQ-BWZBUEFSSA-N
XLogP-0.86
TPSA108.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 21121800
6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
CID 24773387
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142087831
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
CID 102506290
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one (CID 90963679) is 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one is Nc1ccc([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
The InChIKey is MRKWVVDNYKFGOQ-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-9-2-1-5(10(15)12-9)7-3-6(14)8(4-13)16-7/h1-2,6-8,13-14H,3-4H2,(H3,11,12,15)/t6-,7-,8-/m1/s1.
What are the key properties of 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one?
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one has a molecular weight of 226.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90963679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).