[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid

C11H21BN2O3 — CID 16755147

IUPAC[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
SMILESNC(C(=O)N1CCC(B(O)O)C1)C1CCCC1
InChIInChI=1S/C11H21BN2O3/c13-10(8-3-1-2-4-8)11(15)14-6-5-9(7-14)12(16)17/h8-10,16-17H,1-7,13H2
InChIKeyDQTCODITFIMCLS-UHFFFAOYSA-N
MW240.11 g/mol
LogP-0.42
Rot. Bonds3

About [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid

[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid (PubChem CID 16755147) has the molecular formula C11H21BN2O3 and a molecular weight of 240.11 g/mol. Its IUPAC name is [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid.

Molecular Properties

Compound Name[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
PubChem CID16755147
Molecular FormulaC11H21BN2O3
Molecular Weight240.11 g/mol
Exact Mass240.16
IUPAC Name[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
SMILESNC(C(=O)N1CCC(B(O)O)C1)C1CCCC1
InChIInChI=1S/C11H21BN2O3/c13-10(8-3-1-2-4-8)11(15)14-6-5-9(7-14)12(16)17/h8-10,16-17H,1-7,13H2
InChIKeyDQTCODITFIMCLS-UHFFFAOYSA-N
XLogP-0.42
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 5-0.42
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

2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
(3R)-1-[(2R)-2-amino-2-cyclopropylacetyl]pyrrolidine-3-carbonitrile
CID 89395754
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
CID 142261867
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
2-amino-2-(1-methanidylpyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
CID 88553492
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
1-[2-amino-2-(4,4-difluorocyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 166305545

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid?
The IUPAC name of [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid (CID 16755147) is [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid.
What is the SMILES notation for [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid?
The canonical SMILES for [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid is NC(C(=O)N1CCC(B(O)O)C1)C1CCCC1.
What is the InChIKey of [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid?
The InChIKey is DQTCODITFIMCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BN2O3/c13-10(8-3-1-2-4-8)11(15)14-6-5-9(7-14)12(16)17/h8-10,16-17H,1-7,13H2.
What are the key properties of [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid?
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid has a molecular weight of 240.11 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid is sourced from PubChem (CID 16755147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).