(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

C9H14F6N2O5 — CID 87113929

IUPAC(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCO[C@@H]1CNC[C@H]1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.2C2HF3O2/c1-8-5-3-7-2-4(5)6;2*3-2(4,5)1(6)7/h4-5,7H,2-3,6H2,1H3;2*(H,6,7)/t4-,5-;;/m1../s1
InChIKeyONJPCCYZCFWACJ-ALUAXPQUSA-N
MW344.21 g/mol
LogP0.20
Rot. Bonds1

About (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87113929) has the molecular formula C9H14F6N2O5 and a molecular weight of 344.21 g/mol. Its IUPAC name is (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87113929
Molecular FormulaC9H14F6N2O5
Molecular Weight344.21 g/mol
Exact Mass344.08
IUPAC Name(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCO[C@@H]1CNC[C@H]1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.2C2HF3O2/c1-8-5-3-7-2-4(5)6;2*3-2(4,5)1(6)7/h4-5,7H,2-3,6H2,1H3;2*(H,6,7)/t4-,5-;;/m1../s1
InChIKeyONJPCCYZCFWACJ-ALUAXPQUSA-N
XLogP0.20
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (CID 87113929) is (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is CO[C@@H]1CNC[C@H]1N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ONJPCCYZCFWACJ-ALUAXPQUSA-N. The full InChI is InChI=1S/C5H12N2O.2C2HF3O2/c1-8-5-3-7-2-4(5)6;2*3-2(4,5)1(6)7/h4-5,7H,2-3,6H2,1H3;2*(H,6,7)/t4-,5-;;/m1../s1.
What are the key properties of (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 344.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87113929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).