propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate

C8H19NO6 — CID 86711776

IUPACpropane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
SMILESO.O=C(O)[C@@H]1CCCN1.OCC(O)CO
InChIInChI=1S/C5H9NO2.C3H8O3.H2O/c7-5(8)4-2-1-3-6-4;4-1-3(6)2-5;/h4,6H,1-3H2,(H,7,8);3-6H,1-2H2;1H2/t4-;;/m0../s1
InChIKeyHWELHFIVLRIDDX-FHNDMYTFSA-N
MW225.24 g/mol
LogP-2.67
Rot. Bonds3

About propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate

propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate (PubChem CID 86711776) has the molecular formula C8H19NO6 and a molecular weight of 225.24 g/mol. Its IUPAC name is propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Namepropane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
PubChem CID86711776
Molecular FormulaC8H19NO6
Molecular Weight225.24 g/mol
Exact Mass225.12
IUPAC Namepropane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
SMILESO.O=C(O)[C@@H]1CCCN1.OCC(O)CO
InChIInChI=1S/C5H9NO2.C3H8O3.H2O/c7-5(8)4-2-1-3-6-4;4-1-3(6)2-5;/h4,6H,1-3H2,(H,7,8);3-6H,1-2H2;1H2/t4-;;/m0../s1
InChIKeyHWELHFIVLRIDDX-FHNDMYTFSA-N
XLogP-2.67
TPSA141.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
nitroxyl;(2S)-pyrrolidine-2-carboxylic acid
CID 145376752
sodium;pyrrolidine-2-carboxylic acid;chloride
CID 68997199

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate?
The IUPAC name of propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate (CID 86711776) is propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate.
What is the SMILES notation for propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate?
The canonical SMILES for propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate is O.O=C(O)[C@@H]1CCCN1.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate?
The InChIKey is HWELHFIVLRIDDX-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO2.C3H8O3.H2O/c7-5(8)4-2-1-3-6-4;4-1-3(6)2-5;/h4,6H,1-3H2,(H,7,8);3-6H,1-2H2;1H2/t4-;;/m0../s1.
What are the key properties of propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate?
propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate has a molecular weight of 225.24 g/mol, XLogP of -2.67, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate is sourced from PubChem (CID 86711776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).