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

C5H12N2O2 — CID 67191860

IUPAC1-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCN1CC(O)C(O)C1
InChIInChI=1S/C5H12N2O2/c6-3-7-1-4(8)5(9)2-7/h4-5,8-9H,1-3,6H2
InChIKeyNSXXZRMSDDBHIO-UHFFFAOYSA-N
MW132.16 g/mol
LogP-2.06
Rot. Bonds1

About 1-(aminomethyl)pyrrolidine-3,4-diol

1-(aminomethyl)pyrrolidine-3,4-diol (PubChem CID 67191860) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-(aminomethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(aminomethyl)pyrrolidine-3,4-diol
PubChem CID67191860
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name1-(aminomethyl)pyrrolidine-3,4-diol
SMILESNCN1CC(O)C(O)C1
InChIInChI=1S/C5H12N2O2/c6-3-7-1-4(8)5(9)2-7/h4-5,8-9H,1-3,6H2
InChIKeyNSXXZRMSDDBHIO-UHFFFAOYSA-N
XLogP-2.06
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(aminomethyl)pyrrolidine-3,4-diol (CID 67191860) is 1-(aminomethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(aminomethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(aminomethyl)pyrrolidine-3,4-diol is NCN1CC(O)C(O)C1.
What is the InChIKey of 1-(aminomethyl)pyrrolidine-3,4-diol?
The InChIKey is NSXXZRMSDDBHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-3-7-1-4(8)5(9)2-7/h4-5,8-9H,1-3,6H2.
What are the key properties of 1-(aminomethyl)pyrrolidine-3,4-diol?
1-(aminomethyl)pyrrolidine-3,4-diol has a molecular weight of 132.16 g/mol, XLogP of -2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 67191860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).