(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol

C11H16N2O2 — CID 129359591

IUPAC(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(c2ccccc2N)C[C@H]1O
InChIInChI=1S/C11H16N2O2/c1-15-11-7-13(6-10(11)14)9-5-3-2-4-8(9)12/h2-5,10-11,14H,6-7,12H2,1H3/t10-,11-/m1/s1
InChIKeyRYCZXPLWUWBJLO-GHMZBOCLSA-N
MW208.26 g/mol
LogP0.46
Rot. Bonds2

About (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol

(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol (PubChem CID 129359591) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol
PubChem CID129359591
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(c2ccccc2N)C[C@H]1O
InChIInChI=1S/C11H16N2O2/c1-15-11-7-13(6-10(11)14)9-5-3-2-4-8(9)12/h2-5,10-11,14H,6-7,12H2,1H3/t10-,11-/m1/s1
InChIKeyRYCZXPLWUWBJLO-GHMZBOCLSA-N
XLogP0.46
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol (CID 129359591) is (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol is CO[C@@H]1CN(c2ccccc2N)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol?
The InChIKey is RYCZXPLWUWBJLO-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11-7-13(6-10(11)14)9-5-3-2-4-8(9)12/h2-5,10-11,14H,6-7,12H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol?
(3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-aminophenyl)-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 129359591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).