(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

C5H12ClNO2 — CID 53487134

IUPAC(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m0./s1
InChIKeyIUHDMWJWUWKOFE-UYXJWNHNSA-N
MW153.61 g/mol
LogP-0.88
Rot. Bonds1

About (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 53487134) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID53487134
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m0./s1
InChIKeyIUHDMWJWUWKOFE-UYXJWNHNSA-N
XLogP-0.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
2,5-Dideoxy-2,5-Imino-D-Mannitol
CID 124702
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
2,5-Dideoxy-2,5-Imino-D-Glucitol
CID 11073745
2,5-dideoxy-2,5-imino-D-altritol
CID 10261406
2-(Hydroxymethyl)pyrrolidine-3,4-diol
CID 1335
(2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 12085983
2,5-Dideoxy-2,5-Imino-D-Fucitol
CID 21129912
L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
Dideoxy-Imino-Lyxitol
CID 9882222

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (CID 53487134) is (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride is Cl.OC[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is IUHDMWJWUWKOFE-UYXJWNHNSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m0./s1.
What are the key properties of (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 53487134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).