(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol

C5H11NO3 — CID 169224677

IUPAC(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1O
InChIInChI=1S/C5H11NO3/c7-3-4-1-5(8)2-6(4)9/h4-5,7-9H,1-3H2/t4-,5+/m0/s1
InChIKeyGFCFJJDECXPWJB-CRCLSJGQSA-N
MW133.15 g/mol
LogP-1.20
Rot. Bonds1

About (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol

(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 169224677) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID169224677
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1O
InChIInChI=1S/C5H11NO3/c7-3-4-1-5(8)2-6(4)9/h4-5,7-9H,1-3H2/t4-,5+/m0/s1
InChIKeyGFCFJJDECXPWJB-CRCLSJGQSA-N
XLogP-1.20
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 59596527
1-[(1S,2S)-2-hydroxycyclopentyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 164661796
(3R,5S)-1-(2,2-difluoroethyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 130706866
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
(3R,5S)-1-(2-chloroprop-2-enyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 131084047
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
3-[(4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 69419168
3-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 68644224
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol (CID 169224677) is (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol is OC[C@@H]1C[C@@H](O)CN1O.
What is the InChIKey of (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is GFCFJJDECXPWJB-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NO3/c7-3-4-1-5(8)2-6(4)9/h4-5,7-9H,1-3H2/t4-,5+/m0/s1.
What are the key properties of (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol?
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 133.15 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 169224677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).