1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol

C11H16N2O2 — CID 106667658

IUPAC1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
SMILESNCc1cccc(N2CC(O)C(O)C2)c1
InChIInChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7,12H2
InChIKeyRVGPJIZBMFZYEY-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.31
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol

1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol (PubChem CID 106667658) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
PubChem CID106667658
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
SMILESNCc1cccc(N2CC(O)C(O)C2)c1
InChIInChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7,12H2
InChIKeyRVGPJIZBMFZYEY-UHFFFAOYSA-N
XLogP-0.31
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol (CID 106667658) is 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol is NCc1cccc(N2CC(O)C(O)C2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol?
The InChIKey is RVGPJIZBMFZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-5-8-2-1-3-9(4-8)13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7,12H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol?
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol has a molecular weight of 208.26 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).