(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol

C7H15NO3 — CID 44227582

IUPAC(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCC[C@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O
InChIInChI=1S/C7H15NO3/c1-2-4-6(10)7(11)5(3-9)8-4/h4-11H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyTXUYISCBMIUUDE-AXMZGBSTSA-N
MW161.20 g/mol
LogP-0.80
Rot. Bonds2

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

(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 44227582) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID44227582
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCC[C@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O
InChIInChI=1S/C7H15NO3/c1-2-4-6(10)7(11)5(3-9)8-4/h4-11H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1
InChIKeyTXUYISCBMIUUDE-AXMZGBSTSA-N
XLogP-0.80
TPSA72.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dideoxy-2,5-Imino-D-Mannitol
CID 124702
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
2,5-Dideoxy-2,5-Imino-D-Glucitol
CID 11073745
2,5-dideoxy-2,5-imino-D-altritol
CID 10261406
2,5-Imino-2,5,6-Trideoxy-D-Manno-Heptitol
CID 10374978
2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol
CID 13005892
(2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 12085983
2,5-Dideoxy-2,5-Imino-D-Fucitol
CID 21129912
2-(Hydroxymethyl)pyrrolidine-3,4-diol
CID 1335
Dideoxy-Imino-Lyxitol
CID 9882222

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 44227582) is (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol is CC[C@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O.
What is the InChIKey of (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is TXUYISCBMIUUDE-AXMZGBSTSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-4-6(10)7(11)5(3-9)8-4/h4-11H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 161.20 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 44227582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).