5-(hydroxymethyl)pyrrolidin-3-ol

C5H11NO2 — CID 16767281

IUPAC5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1
InChIInChI=1S/C5H11NO2/c7-3-4-1-5(8)2-6-4/h4-8H,1-3H2
InChIKeyCALDMMCNNFPJSI-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.30
Rot. Bonds1

About 5-(hydroxymethyl)pyrrolidin-3-ol

5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 16767281) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID16767281
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1
InChIInChI=1S/C5H11NO2/c7-3-4-1-5(8)2-6-4/h4-8H,1-3H2
InChIKeyCALDMMCNNFPJSI-UHFFFAOYSA-N
XLogP-1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)pyrrolidin-3-ol 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

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 5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(hydroxymethyl)pyrrolidin-3-ol (CID 16767281) is 5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)pyrrolidin-3-ol is OCC1CC(O)CN1.
What is the InChIKey of 5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is CALDMMCNNFPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-3-4-1-5(8)2-6-4/h4-8H,1-3H2.
What are the key properties of 5-(hydroxymethyl)pyrrolidin-3-ol?
5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 117.15 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 16767281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).