(3S,4S)-2-aminopyrrolidine-3,4-diol

C4H10N2O2 — CID 164682400

IUPAC(3S,4S)-2-aminopyrrolidine-3,4-diol
SMILESNC1NC[C@H](O)[C@H]1O
InChIInChI=1S/C4H10N2O2/c5-4-3(8)2(7)1-6-4/h2-4,6-8H,1,5H2/t2-,3+,4?/m0/s1
InChIKeyCUVIIWDDZNHFGS-URORKIPUSA-N
MW118.14 g/mol
LogP-2.40
Rot. Bonds

About (3S,4S)-2-aminopyrrolidine-3,4-diol

(3S,4S)-2-aminopyrrolidine-3,4-diol (PubChem CID 164682400) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (3S,4S)-2-aminopyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-2-aminopyrrolidine-3,4-diol
PubChem CID164682400
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(3S,4S)-2-aminopyrrolidine-3,4-diol
SMILESNC1NC[C@H](O)[C@H]1O
InChIInChI=1S/C4H10N2O2/c5-4-3(8)2(7)1-6-4/h2-4,6-8H,1,5H2/t2-,3+,4?/m0/s1
InChIKeyCUVIIWDDZNHFGS-URORKIPUSA-N
XLogP-2.40
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-aminopyrrolidine-3,4-diol?
The IUPAC name of (3S,4S)-2-aminopyrrolidine-3,4-diol (CID 164682400) is (3S,4S)-2-aminopyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4S)-2-aminopyrrolidine-3,4-diol?
The canonical SMILES for (3S,4S)-2-aminopyrrolidine-3,4-diol is NC1NC[C@H](O)[C@H]1O.
What is the InChIKey of (3S,4S)-2-aminopyrrolidine-3,4-diol?
The InChIKey is CUVIIWDDZNHFGS-URORKIPUSA-N. The full InChI is InChI=1S/C4H10N2O2/c5-4-3(8)2(7)1-6-4/h2-4,6-8H,1,5H2/t2-,3+,4?/m0/s1.
What are the key properties of (3S,4S)-2-aminopyrrolidine-3,4-diol?
(3S,4S)-2-aminopyrrolidine-3,4-diol has a molecular weight of 118.14 g/mol, XLogP of -2.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-aminopyrrolidine-3,4-diol is sourced from PubChem (CID 164682400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).