3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)

C14H15F6N3O7 — CID 87592200

IUPAC3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESNc1cnccc1C1(O)CCN(C(=O)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N3O3.2C2HF3O2/c11-8-5-12-3-1-7(8)10(16)2-4-13(6-10)9(14)15;2*3-2(4,5)1(6)7/h1,3,5,16H,2,4,6,11H2,(H,14,15);2*(H,6,7)
InChIKeyJIFRJMGGRRWFNT-UHFFFAOYSA-N
MW451.28 g/mol
LogP1.50
Rot. Bonds1

About 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)

3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87592200) has the molecular formula C14H15F6N3O7 and a molecular weight of 451.28 g/mol. Its IUPAC name is 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID87592200
Molecular FormulaC14H15F6N3O7
Molecular Weight451.28 g/mol
Exact Mass451.08
IUPAC Name3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESNc1cnccc1C1(O)CCN(C(=O)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N3O3.2C2HF3O2/c11-8-5-12-3-1-7(8)10(16)2-4-13(6-10)9(14)15;2*3-2(4,5)1(6)7/h1,3,5,16H,2,4,6,11H2,(H,14,15);2*(H,6,7)
InChIKeyJIFRJMGGRRWFNT-UHFFFAOYSA-N
XLogP1.50
TPSA174.28 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.28
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (CID 87592200) is 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is Nc1cnccc1C1(O)CCN(C(=O)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JIFRJMGGRRWFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.2C2HF3O2/c11-8-5-12-3-1-7(8)10(16)2-4-13(6-10)9(14)15;2*3-2(4,5)1(6)7/h1,3,5,16H,2,4,6,11H2,(H,14,15);2*(H,6,7).
What are the key properties of 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 451.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87592200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).