(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol

C6H13NO3 — CID 54370986

IUPAC(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol
SMILESC[C@@H]1[C@H](CO)[C@@H](O)N[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3-4(2-8)6(10)7-5(3)9/h3-10H,2H2,1H3/t3-,4+,5+,6-/m1/s1
InChIKeyUTEHZHRXOKDKGO-DPYQTVNSSA-N
MW147.17 g/mol
LogP-1.53
Rot. Bonds1

About (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol

(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol (PubChem CID 54370986) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol
PubChem CID54370986
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol
SMILESC[C@@H]1[C@H](CO)[C@@H](O)N[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3-4(2-8)6(10)7-5(3)9/h3-10H,2H2,1H3/t3-,4+,5+,6-/m1/s1
InChIKeyUTEHZHRXOKDKGO-DPYQTVNSSA-N
XLogP-1.53
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
CID 131846797
[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
CID 143572828
[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 15336709
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690
(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol?
The IUPAC name of (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol (CID 54370986) is (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol.
What is the SMILES notation for (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol?
The canonical SMILES for (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol is C[C@@H]1[C@H](CO)[C@@H](O)N[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol?
The InChIKey is UTEHZHRXOKDKGO-DPYQTVNSSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4(2-8)6(10)7-5(3)9/h3-10H,2H2,1H3/t3-,4+,5+,6-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol?
(2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol has a molecular weight of 147.17 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-diol is sourced from PubChem (CID 54370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).