(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride

C13H19Cl2F2N3O — CID 119899434

IUPAC(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(c2c(F)cccc2F)C1.Cl.Cl
InChIInChI=1S/C13H17F2N3O.2ClH/c1-8(16)13(19)17-9-5-6-18(7-9)12-10(14)3-2-4-11(12)15;;/h2-4,8-9H,5-7,16H2,1H3,(H,17,19);2*1H/t8-,9?;;/m1../s1
InChIKeyAXLXIWWUOFBXCR-QMKDJUJBSA-N
MW342.22 g/mol
LogP1.85
Rot. Bonds3

About (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride

(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride (PubChem CID 119899434) has the molecular formula C13H19Cl2F2N3O and a molecular weight of 342.22 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
PubChem CID119899434
Molecular FormulaC13H19Cl2F2N3O
Molecular Weight342.22 g/mol
Exact Mass341.09
IUPAC Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(c2c(F)cccc2F)C1.Cl.Cl
InChIInChI=1S/C13H17F2N3O.2ClH/c1-8(16)13(19)17-9-5-6-18(7-9)12-10(14)3-2-4-11(12)15;;/h2-4,8-9H,5-7,16H2,1H3,(H,17,19);2*1H/t8-,9?;;/m1../s1
InChIKeyAXLXIWWUOFBXCR-QMKDJUJBSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride 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

2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573
4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
CID 120597461
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
1-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 100643274
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
tert-butyl N-[(3S)-1-(2-amino-6-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 53255939
tert-butyl N-[(3S)-1-[2-fluoro-6-(hydroxymethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 174408764
3-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 166234224
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
7-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67837321
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119899460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride (CID 119899434) is (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NC1CCN(c2c(F)cccc2F)C1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride?
The InChIKey is AXLXIWWUOFBXCR-QMKDJUJBSA-N. The full InChI is InChI=1S/C13H17F2N3O.2ClH/c1-8(16)13(19)17-9-5-6-18(7-9)12-10(14)3-2-4-11(12)15;;/h2-4,8-9H,5-7,16H2,1H3,(H,17,19);2*1H/t8-,9?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride?
(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride has a molecular weight of 342.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119899434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).