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

C8H18N2O3 — CID 46188189

IUPAC(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCNC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H18N2O3/c1-2-9-3-5-7(12)8(13)6(4-11)10-5/h5-13H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKeyUIBVDMVPHPFHNF-RULNZFCNSA-N
MW190.24 g/mol
LogP-2.35
Rot. Bonds4

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

(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 46188189) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID46188189
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCNC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H18N2O3/c1-2-9-3-5-7(12)8(13)6(4-11)10-5/h5-13H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1
InChIKeyUIBVDMVPHPFHNF-RULNZFCNSA-N
XLogP-2.35
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 46188189) is (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is CCNC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is UIBVDMVPHPFHNF-RULNZFCNSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-2-9-3-5-7(12)8(13)6(4-11)10-5/h5-13H,2-4H2,1H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of -2.35, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-(ethylaminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 46188189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).