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

C10H12FN3O2 — CID 107325252

IUPAC3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c11-7-1-2-8(13-5-7)14-4-3-10(12,6-14)9(15)16/h1-2,5H,3-4,6,12H2,(H,15,16)
InChIKeyVQAYNZKTSRUFBT-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.21
Rot. Bonds2

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

3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 107325252) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID107325252
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c11-7-1-2-8(13-5-7)14-4-3-10(12,6-14)9(15)16/h1-2,5H,3-4,6,12H2,(H,15,16)
InChIKeyVQAYNZKTSRUFBT-UHFFFAOYSA-N
XLogP0.21
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325250
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196
3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321041
3-amino-1-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 107325189
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325371
3-amino-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 107325193
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
3-amino-1-(5-nitropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325477
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 107325252) is 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(c2ccc(F)cn2)C1.
What is the InChIKey of 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VQAYNZKTSRUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-1-2-8(13-5-7)14-4-3-10(12,6-14)9(15)16/h1-2,5H,3-4,6,12H2,(H,15,16).
What are the key properties of 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).