[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid

C11H21BN2O4 — CID 15951928

IUPAC[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C11H21BN2O4/c1-11(2,3)10(16)13-7-9(15)14-6-4-5-8(14)12(17)18/h8,17-18H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyWDLHHKVPFXMOGF-QMMMGPOBSA-N
MW256.11 g/mol
LogP-0.85
Rot. Bonds3

About [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid (PubChem CID 15951928) has the molecular formula C11H21BN2O4 and a molecular weight of 256.11 g/mol. Its IUPAC name is [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid
PubChem CID15951928
Molecular FormulaC11H21BN2O4
Molecular Weight256.11 g/mol
Exact Mass256.16
IUPAC Name[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C11H21BN2O4/c1-11(2,3)10(16)13-7-9(15)14-6-4-5-8(14)12(17)18/h8,17-18H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1
InChIKeyWDLHHKVPFXMOGF-QMMMGPOBSA-N
XLogP-0.85
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tle-boroPro
CID 10704521
(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
(R)-1-(2-isobutyramidoacetyl)pyrrolidin-2-ylboronic acid
CID 44418230
(R)-1-(2-(N-methylacetamido)acetyl)pyrrolidin-2-ylboronic acid
CID 44418240
(R)-1-(2-(N-methylisobutyramido)acetyl)pyrrolidin-2-ylboronic acid
CID 44418242
[(1R)-3-methyl-1-[[2-(propanoylamino)acetyl]amino]butyl]boronic acid
CID 145985988
(R)-1-((S)-2-acetamido-3-methylbutanoyl)pyrrolidin-2-ylboronic acid
CID 25132162
Aib-boroPro
CID 10750510
Sar-boroPro
CID 59210959
[(2R)-1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 11171627

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid (CID 15951928) is [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid is CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is WDLHHKVPFXMOGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21BN2O4/c1-11(2,3)10(16)13-7-9(15)14-6-4-5-8(14)12(17)18/h8,17-18H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1.
What are the key properties of [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 256.11 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(2,2-dimethylpropanoylamino)acetyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 15951928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).