[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid

C12H23BN2O3 — CID 11368811

IUPAC[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@H](NC1CCCC1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C12H23BN2O3/c1-9(14-10-5-2-3-6-10)12(16)15-8-4-7-11(15)13(17)18/h9-11,14,17-18H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyBHFZEVQXINCZGX-ONGXEEELSA-N
MW254.14 g/mol
LogP-0.09
Rot. Bonds4

About [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid

[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid (PubChem CID 11368811) has the molecular formula C12H23BN2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid.

Molecular Properties

Compound Name[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
PubChem CID11368811
Molecular FormulaC12H23BN2O3
Molecular Weight254.14 g/mol
Exact Mass254.18
IUPAC Name[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid
SMILESC[C@H](NC1CCCC1)C(=O)N1CCC[C@H]1B(O)O
InChIInChI=1S/C12H23BN2O3/c1-9(14-10-5-2-3-6-10)12(16)15-8-4-7-11(15)13(17)18/h9-11,14,17-18H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyBHFZEVQXINCZGX-ONGXEEELSA-N
XLogP-0.09
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 5-0.09
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

[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]-4-[hydroxy-[1-[(2S)-2-(methylamino)propanoyl]pyrrolidin-2-yl]boranyl]oxypyrrolidin-2-yl]boronic acid
CID 143049697
[(2R)-1-[(2S)-2-[(1-benzylpyrrolidin-3-yl)amino]propanoyl]pyrrolidin-2-yl]boronic acid;dihydrochloride
CID 162329338
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
[1-[2-(pyridine-4-carbonylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 78139880
[(2R)-1-[(3S)-2-amino-3-fluorobutanoyl]pyrrolidin-2-yl]boronic acid
CID 171429235
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
[(2R)-1-[(2R)-1-[(2S)-2-[(2-amino-2-cyclohexylacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid
CID 70867048
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
[(2R)-1-[2-[[(2S)-2-[(2-amino-2-cyclohexylacetyl)amino]propanoyl]amino]butanoyl]pyrrolidin-2-yl]boronic acid
CID 70876607
[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
CID 175526481

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The IUPAC name of [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid (CID 11368811) is [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid.
What is the SMILES notation for [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The canonical SMILES for [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid is C[C@H](NC1CCCC1)C(=O)N1CCC[C@H]1B(O)O.
What is the InChIKey of [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
The InChIKey is BHFZEVQXINCZGX-ONGXEEELSA-N. The full InChI is InChI=1S/C12H23BN2O3/c1-9(14-10-5-2-3-6-10)12(16)15-8-4-7-11(15)13(17)18/h9-11,14,17-18H,2-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid?
[(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid has a molecular weight of 254.14 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S)-2-(cyclopentylamino)propanoyl]pyrrolidin-2-yl]boronic acid is sourced from PubChem (CID 11368811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).