(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol

C5H12N2O2 — CID 102214110

IUPAC(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCC1NC[C@H](O)[C@H]1O
InChIInChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2/t3?,4-,5-/m0/s1
InChIKeyPTUICKYMXFZVGV-ZZJOKYKRSA-N
MW132.16 g/mol
LogP-2.36
Rot. Bonds1

About (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol

(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol (PubChem CID 102214110) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
PubChem CID102214110
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCC1NC[C@H](O)[C@H]1O
InChIInChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2/t3?,4-,5-/m0/s1
InChIKeyPTUICKYMXFZVGV-ZZJOKYKRSA-N
XLogP-2.36
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
CID 45380291
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290
(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
CID 59049885
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
N-[[(2S,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 131052722
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 159507327
pyrrolidine-2,3,4-triol
CID 73110172
(2S,3R,4S)-pyrrolidine-2,3,4-triol
CID 55299439

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol (CID 102214110) is (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol is NCC1NC[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol?
The InChIKey is PTUICKYMXFZVGV-ZZJOKYKRSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2/t3?,4-,5-/m0/s1.
What are the key properties of (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol?
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -2.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 102214110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).