2-(aminomethyl)pyrrolidine-3,4-diol

C5H12N2O2 — CID 11852460

IUPAC2-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCC1NCC(O)C1O
InChIInChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2
InChIKeyPTUICKYMXFZVGV-UHFFFAOYSA-N
MW132.16 g/mol
LogP-2.36
Rot. Bonds1

About 2-(aminomethyl)pyrrolidine-3,4-diol

2-(aminomethyl)pyrrolidine-3,4-diol (PubChem CID 11852460) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(aminomethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(aminomethyl)pyrrolidine-3,4-diol
PubChem CID11852460
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCC1NCC(O)C1O
InChIInChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2
InChIKeyPTUICKYMXFZVGV-UHFFFAOYSA-N
XLogP-2.36
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)pyrrolidine-3,4-diol?
The IUPAC name of 2-(aminomethyl)pyrrolidine-3,4-diol (CID 11852460) is 2-(aminomethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 2-(aminomethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 2-(aminomethyl)pyrrolidine-3,4-diol is NCC1NCC(O)C1O.
What is the InChIKey of 2-(aminomethyl)pyrrolidine-3,4-diol?
The InChIKey is PTUICKYMXFZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-1-3-5(9)4(8)2-7-3/h3-5,7-9H,1-2,6H2.
What are the key properties of 2-(aminomethyl)pyrrolidine-3,4-diol?
2-(aminomethyl)pyrrolidine-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -2.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 11852460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).