(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid

C14H20FN3O2 — CID 67232774

IUPAC(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1CN(C(=O)O)C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)17-12-8-18(13(19)20)7-10(12)11-5-4-9(15)6-16-11/h4-6,10,12,17H,7-8H2,1-3H3,(H,19,20)/t10-,12+/m0/s1
InChIKeyOYSJRGJGFSIMDV-CMPLNLGQSA-N
MW281.33 g/mol
LogP2.05
Rot. Bonds2

About (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid

(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid (PubChem CID 67232774) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid
PubChem CID67232774
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1CN(C(=O)O)C[C@H]1c1ccc(F)cn1
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)17-12-8-18(13(19)20)7-10(12)11-5-4-9(15)6-16-11/h4-6,10,12,17H,7-8H2,1-3H3,(H,19,20)/t10-,12+/m0/s1
InChIKeyOYSJRGJGFSIMDV-CMPLNLGQSA-N
XLogP2.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid (CID 67232774) is (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid is CC(C)(C)N[C@@H]1CN(C(=O)O)C[C@H]1c1ccc(F)cn1.
What is the InChIKey of (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid?
The InChIKey is OYSJRGJGFSIMDV-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,3)17-12-8-18(13(19)20)7-10(12)11-5-4-9(15)6-16-11/h4-6,10,12,17H,7-8H2,1-3H3,(H,19,20)/t10-,12+/m0/s1.
What are the key properties of (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid?
(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67232774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).