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

C7H16N2O2 — CID 132918961

IUPAC(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1N[C@@H](CCN)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O2/c1-4-6(10)7(11)5(9-4)2-3-8/h4-7,9-11H,2-3,8H2,1H3/t4-,5-,6+,7-/m0/s1
InChIKeyOMANOCSWSMAWGR-YTLHQDLWSA-N
MW160.22 g/mol
LogP-1.58
Rot. Bonds2

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

(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol (PubChem CID 132918961) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
PubChem CID132918961
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1N[C@@H](CCN)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H16N2O2/c1-4-6(10)7(11)5(9-4)2-3-8/h4-7,9-11H,2-3,8H2,1H3/t4-,5-,6+,7-/m0/s1
InChIKeyOMANOCSWSMAWGR-YTLHQDLWSA-N
XLogP-1.58
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
CID 10420740
(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
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(2S,3S,4R,5S)-2-(2-diethoxyphosphorylethyl)-5-methylpyrrolidine-3,4-diol;hydrochloride
CID 11544233
CID 71746190
CID 71746190
N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
CID 53432038
(2S,3R,4R,5R,6R)-2-methyl-6-[3-[4-(trifluoromethyl)phenyl]propyl]piperidine-3,4,5-triol
CID 73292268
(2S,3S,4R,5S)-2-[2-(2-cyclopenta-1,2,4-trien-1-ylethylamino)ethyl]-5-methylpyrrolidine-3,4-diol
CID 177498507

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol (CID 132918961) is (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol is C[C@@H]1N[C@@H](CCN)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol?
The InChIKey is OMANOCSWSMAWGR-YTLHQDLWSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-6(10)7(11)5(9-4)2-3-8/h4-7,9-11H,2-3,8H2,1H3/t4-,5-,6+,7-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol?
(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol has a molecular weight of 160.22 g/mol, XLogP of -1.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 132918961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).