2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol

C6H13NO3 — CID 138712862

IUPAC2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
SMILESOC(O)C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO3/c8-5(6(9)10)4-2-1-3-7-4/h4-10H,1-3H2/t4-,5?/m0/s1
InChIKeyCEUGFFFXZXDUHG-ROLXFIACSA-N
MW147.17 g/mol
LogP-1.59
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol

2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol (PubChem CID 138712862) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
PubChem CID138712862
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
SMILESOC(O)C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H13NO3/c8-5(6(9)10)4-2-1-3-7-4/h4-10H,1-3H2/t4-,5?/m0/s1
InChIKeyCEUGFFFXZXDUHG-ROLXFIACSA-N
XLogP-1.59
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-pyrrolidin-2-yl]methanedithiol
CID 91562431
(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol (CID 138712862) is 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol is OC(O)C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol?
The InChIKey is CEUGFFFXZXDUHG-ROLXFIACSA-N. The full InChI is InChI=1S/C6H13NO3/c8-5(6(9)10)4-2-1-3-7-4/h4-10H,1-3H2/t4-,5?/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol?
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol has a molecular weight of 147.17 g/mol, XLogP of -1.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol is sourced from PubChem (CID 138712862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).