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

C6H13NO3 — CID 45274046

IUPAC(2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol
SMILESC[C@@]1(CO)NC[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyLDCCTFVPMAHPSF-JKUQZMGJSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds1

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

(2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol (PubChem CID 45274046) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol
PubChem CID45274046
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol
SMILESC[C@@]1(CO)NC[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyLDCCTFVPMAHPSF-JKUQZMGJSA-N
XLogP-1.94
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 ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
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
Dideoxy-Imino-Lyxitol
CID 9882222
(2r,3s,4r,5s)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21635671
1,4-Dideoxy-1,4-imino-D-arabinitol hydrochloride
CID 11953777
(2R,3R,4R,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 10057640
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)-
CID 452009
(2R,3S,4R)-2-((R)-1-Hydroxyethyl)pyrrolidine-3,4-diol
CID 483390

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol (CID 45274046) is (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol is C[C@@]1(CO)NC[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol?
The InChIKey is LDCCTFVPMAHPSF-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1.
What are the key properties of (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol?
(2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(hydroxymethyl)-2-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 45274046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).