[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid

C7H14BFN2O3 — CID 70696903

IUPAC[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O
InChIInChI=1S/C7H14BFN2O3/c1-4(10)7(12)11-3-5(9)2-6(11)8(13)14/h4-6,13-14H,2-3,10H2,1H3/t4-,5+,6-/m0/s1
InChIKeyDBOZUIVNRDURJJ-JKUQZMGJSA-N
MW204.01 g/mol
LogP-1.72
Rot. Bonds2

About [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid

[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid (PubChem CID 70696903) has the molecular formula C7H14BFN2O3 and a molecular weight of 204.01 g/mol. Its IUPAC name is [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid
PubChem CID70696903
Molecular FormulaC7H14BFN2O3
Molecular Weight204.01 g/mol
Exact Mass204.11
IUPAC Name[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O
InChIInChI=1S/C7H14BFN2O3/c1-4(10)7(12)11-3-5(9)2-6(11)8(13)14/h4-6,13-14H,2-3,10H2,1H3/t4-,5+,6-/m0/s1
InChIKeyDBOZUIVNRDURJJ-JKUQZMGJSA-N
XLogP-1.72
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic 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

Talabostat
CID 6918572
D-Val-L-boroPro
CID 9942554
Ala-boroPro
CID 10149048
(R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
CID 10607286
[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]boronic acid
CID 10584166
(S)-2-(S)-Amino-1-(2-boron-dihydroxide-pyrrolidine)-3-methyl-butan-1-one
CID 10798659
((R)-1-(D-alanyl)pyrrolidin-2-yl)boronic acid
CID 44403412
(S)-2,4-Diamino-1-(2-boron-dihydroxide-pyrrolidin-1-yl)-butan-1-one
CID 44403361
(1-((S)-2-Amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid
CID 10130575
(R)-1-((R)-2-acetamidopropanoyl)pyrrolidin-2-ylboronic acid
CID 44418250
[(1R)-1-[(3S)-3-amino-2-oxopyrrolidin-1-yl]ethyl]boronic acid
CID 16658881
[(1R)-1-[(3R)-3-amino-2-oxopyrrolidin-1-yl]ethyl]boronic acid
CID 16658917

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid (CID 70696903) is [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid is C[C@H](N)C(=O)N1C[C@H](F)C[C@H]1B(O)O.
What is the InChIKey of [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid?
The InChIKey is DBOZUIVNRDURJJ-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H14BFN2O3/c1-4(10)7(12)11-3-5(9)2-6(11)8(13)14/h4-6,13-14H,2-3,10H2,1H3/t4-,5+,6-/m0/s1.
What are the key properties of [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid?
[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid has a molecular weight of 204.01 g/mol, XLogP of -1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 70696903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).