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

C7H13BN2O4 — CID 70684349

IUPAC[(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1CC(=O)C[C@H]1B(O)O
InChIInChI=1S/C7H13BN2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4,6,13-14H,2-3,9H2,1H3/t4-,6-/m0/s1
InChIKeyUJXXZBKYMMMTOG-NJGYIYPDSA-N
MW200.00 g/mol
LogP-2.48
Rot. Bonds2

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

[(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid (PubChem CID 70684349) has the molecular formula C7H13BN2O4 and a molecular weight of 200.00 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid
PubChem CID70684349
Molecular FormulaC7H13BN2O4
Molecular Weight200.00 g/mol
Exact Mass200.10
IUPAC Name[(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid
SMILESC[C@H](N)C(=O)N1CC(=O)C[C@H]1B(O)O
InChIInChI=1S/C7H13BN2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4,6,13-14H,2-3,9H2,1H3/t4-,6-/m0/s1
InChIKeyUJXXZBKYMMMTOG-NJGYIYPDSA-N
XLogP-2.48
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.00
LogP ≤ 5-2.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ala-boroPro
CID 10149048
[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]boronic acid
CID 10584166
((R)-1-(D-alanyl)pyrrolidin-2-yl)boronic acid
CID 44403412
(R)-(1-(2-Acetamidoacetyl)pyrrolidin-2-yl)boronic acid
CID 11579395
(R)-1-((R)-2-acetamidopropanoyl)pyrrolidin-2-ylboronic acid
CID 44418250
Ac-Gly-BoroPro
CID 102176419
[(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
[(2R,4R)-1-[(2S)-2-aminopropanoyl]-4-fluoropyrrolidin-2-yl]boronic acid
CID 70696903
L-Ala-L-boroPro
CID 44422917
[1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]boronic acid
CID 10176424
[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11171627

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid (CID 70684349) is [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid is C[C@H](N)C(=O)N1CC(=O)C[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid?
The InChIKey is UJXXZBKYMMMTOG-NJGYIYPDSA-N. The full InChI is InChI=1S/C7H13BN2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4,6,13-14H,2-3,9H2,1H3/t4-,6-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid has a molecular weight of 200.00 g/mol, XLogP of -2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-aminopropanoyl]-4-oxopyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 70684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).