(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid

C10H21BN2O4 — CID 154674929

IUPAC(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid
SMILESN[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1
InChIInChI=1S/C10H21BN2O4/c12-8-3-6-13-10(7-8,9(14)15)4-1-2-5-11(16)17/h8,13,16-17H,1-7,12H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyXMBOQSCEOFRXBH-WCBMZHEXSA-N
MW244.10 g/mol
LogP-0.84
Rot. Bonds6

About (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid

(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid (PubChem CID 154674929) has the molecular formula C10H21BN2O4 and a molecular weight of 244.10 g/mol. Its IUPAC name is (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid
PubChem CID154674929
Molecular FormulaC10H21BN2O4
Molecular Weight244.10 g/mol
Exact Mass244.16
IUPAC Name(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid
SMILESN[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1
InChIInChI=1S/C10H21BN2O4/c12-8-3-6-13-10(7-8,9(14)15)4-1-2-5-11(16)17/h8,13,16-17H,1-7,12H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyXMBOQSCEOFRXBH-WCBMZHEXSA-N
XLogP-0.84
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid (CID 154674929) is (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid is N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid?
The InChIKey is XMBOQSCEOFRXBH-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H21BN2O4/c12-8-3-6-13-10(7-8,9(14)15)4-1-2-5-11(16)17/h8,13,16-17H,1-7,12H2,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid?
(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid has a molecular weight of 244.10 g/mol, XLogP of -0.84, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 154674929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).