[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid

C23H33BN2O2 — CID 123677353

IUPAC[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid
SMILESN[C@H](CCCCB(O)O)C1CC[C@H](NCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H33BN2O2/c25-23(8-4-5-15-24(27)28)21-13-14-22(16-21)26-17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-12,21-23,26-28H,4-5,8,13-17,25H2/t21?,22-,23+/m0/s1
InChIKeyKFPRCMQTGYQRGK-ATTQYFOMSA-N
MW380.34 g/mol
LogP3.58
Rot. Bonds10

About [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid

[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid (PubChem CID 123677353) has the molecular formula C23H33BN2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid.

Molecular Properties

Compound Name[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid
PubChem CID123677353
Molecular FormulaC23H33BN2O2
Molecular Weight380.34 g/mol
Exact Mass380.26
IUPAC Name[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid
SMILESN[C@H](CCCCB(O)O)C1CC[C@H](NCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H33BN2O2/c25-23(8-4-5-15-24(27)28)21-13-14-22(16-21)26-17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-12,21-23,26-28H,4-5,8,13-17,25H2/t21?,22-,23+/m0/s1
InChIKeyKFPRCMQTGYQRGK-ATTQYFOMSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid?
The IUPAC name of [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid (CID 123677353) is [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid.
What is the SMILES notation for [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid?
The canonical SMILES for [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid is N[C@H](CCCCB(O)O)C1CC[C@H](NCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid?
The InChIKey is KFPRCMQTGYQRGK-ATTQYFOMSA-N. The full InChI is InChI=1S/C23H33BN2O2/c25-23(8-4-5-15-24(27)28)21-13-14-22(16-21)26-17-18-9-11-20(12-10-18)19-6-2-1-3-7-19/h1-3,6-7,9-12,21-23,26-28H,4-5,8,13-17,25H2/t21?,22-,23+/m0/s1.
What are the key properties of [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid?
[(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid has a molecular weight of 380.34 g/mol, XLogP of 3.58, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-amino-5-[(3S)-3-[(4-phenylphenyl)methylamino]cyclopentyl]pentyl]boronic acid is sourced from PubChem (CID 123677353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).