2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol

C8H17NO4 — CID 85427488

IUPAC2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
SMILESCC(O)CC1NC(CO)C(O)C1O
InChIInChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3
InChIKeySKCBFFYDHKQEQU-UHFFFAOYSA-N
MW191.23 g/mol
LogP-2.19
Rot. Bonds3

About 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol

2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol (PubChem CID 85427488) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
PubChem CID85427488
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
SMILESCC(O)CC1NC(CO)C(O)C1O
InChIInChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3
InChIKeySKCBFFYDHKQEQU-UHFFFAOYSA-N
XLogP-2.19
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol
CID 129322236
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
(2S,3R,4S,5S)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 130818537
(2S,3S,4S,5R)-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 131170181
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 46188189
N-[[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl]-3-methylbutanamide
CID 144581192

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol (CID 85427488) is 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol is CC(O)CC1NC(CO)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol?
The InChIKey is SKCBFFYDHKQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-4(11)2-5-7(12)8(13)6(3-10)9-5/h4-13H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol?
2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol has a molecular weight of 191.23 g/mol, XLogP of -2.19, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 85427488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).