3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid

C13H18FN3O2 — CID 107321041

IUPAC3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H18FN3O2/c1-2-11(10-4-3-9(14)7-16-10)17-6-5-13(15,8-17)12(18)19/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,18,19)
InChIKeyLIAIRXAYIZOORC-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid

3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid (PubChem CID 107321041) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
PubChem CID107321041
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C13H18FN3O2/c1-2-11(10-4-3-9(14)7-16-10)17-6-5-13(15,8-17)12(18)19/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,18,19)
InChIKeyLIAIRXAYIZOORC-UHFFFAOYSA-N
XLogP1.16
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115941701
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
3-amino-1-[1-(2-fluorophenyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321237
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325252
1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
CID 112585618
3-amino-1-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 107321305
3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
CID 107321408
1-[1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-yl]-N-methylmethanamine
CID 112585626
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid (CID 107321041) is 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid is CCC(c1ccc(F)cn1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LIAIRXAYIZOORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-11(10-4-3-9(14)7-16-10)17-6-5-13(15,8-17)12(18)19/h3-4,7,11H,2,5-6,8,15H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107321041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).