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

C6H13NO3 — CID 59973652

IUPAC(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
SMILESCC1NC(CO)C(O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4?,5-,6?/m0/s1
InChIKeyYRBKDBZXOAEMOT-CTQIIAAMSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds1

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

(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol (PubChem CID 59973652) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
PubChem CID59973652
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
SMILESCC1NC(CO)C(O)[C@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4?,5-,6?/m0/s1
InChIKeyYRBKDBZXOAEMOT-CTQIIAAMSA-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

(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol
CID 135040331
(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
CID 10420740
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol
CID 118449008
(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
CID 132918961
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(3,5,6-trimethylpiperazin-2-yl)methanol
CID 164899965

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The IUPAC name of (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol (CID 59973652) is (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The canonical SMILES for (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol is CC1NC(CO)C(O)[C@H]1O.
What is the InChIKey of (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The InChIKey is YRBKDBZXOAEMOT-CTQIIAAMSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4?,5-,6?/m0/s1.
What are the key properties of (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
(4S)-2-(hydroxymethyl)-5-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 (4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 59973652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).