(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol

C6H14N2O2 — CID 11298044

IUPAC(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol
SMILESNCCN1C[C@H](O)[C@@H](O)C1
InChIInChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2/t5-,6-/m0/s1
InChIKeyQGYKHFXTWWKKHL-WDSKDSINSA-N
MW146.19 g/mol
LogP-2.02
Rot. Bonds2

About (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol

(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol (PubChem CID 11298044) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol
PubChem CID11298044
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol
SMILESNCCN1C[C@H](O)[C@@H](O)C1
InChIInChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2/t5-,6-/m0/s1
InChIKeyQGYKHFXTWWKKHL-WDSKDSINSA-N
XLogP-2.02
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol (CID 11298044) is (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol is NCCN1C[C@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol?
The InChIKey is QGYKHFXTWWKKHL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol?
(3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol has a molecular weight of 146.19 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-aminoethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 11298044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).