(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol

C8H18N2O2 — CID 11378791

IUPAC(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol
SMILESCCNCCN1C[C@@H](O)[C@H](O)C1
InChIInChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7(11)8(12)6-10/h7-9,11-12H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXWESAQGAVOOCNP-HTQZYQBOSA-N
MW174.24 g/mol
LogP-1.37
Rot. Bonds4

About (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol

(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol (PubChem CID 11378791) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol
PubChem CID11378791
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol
SMILESCCNCCN1C[C@@H](O)[C@H](O)C1
InChIInChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7(11)8(12)6-10/h7-9,11-12H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXWESAQGAVOOCNP-HTQZYQBOSA-N
XLogP-1.37
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-Dideoxy-1,4-iminothreitol
CID 146198
(3R,4S)-pyrrolidine-3,4-diol
CID 13329882
Pyrrolidine-3,4-diol
CID 13329881
(3R,4R)-pyrrolidine-3,4-diol
CID 11499204
1-(2-Aminoethyl)-3-pyrrolidinol
CID 21065334
(3S)-1-(2-aminoethyl)pyrrolidin-3-ol
CID 34176747
(3R)-1-(2-Aminoethyl)pyrrolidin-3-ol
CID 42614269
1-[2-(2-Hydroxybutylamino)ethylamino]butan-2-ol
CID 450122
3-(Bis(2-aminoethyl)amino)-1,2-propanediol
CID 57386629
1-[2-(Dimethylamino)ethylamino]butan-2-ol
CID 60886216
(2R)-1-[2-[[(2S)-2-hydroxybutyl]amino]ethylamino]butan-2-ol
CID 470085
3-((3-(Dimethylamino)propyl)amino)propane-1,2-diol
CID 3019950

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol (CID 11378791) is (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol is CCNCCN1C[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol?
The InChIKey is XWESAQGAVOOCNP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-9-3-4-10-5-7(11)8(12)6-10/h7-9,11-12H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol?
(3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol has a molecular weight of 174.24 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-(ethylamino)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11378791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).