(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid

C9H17BN2O3 — CID 123265170

IUPAC(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC[C@H]1CCCB=O
InChIInChI=1S/C9H17BN2O3/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10-15/h7,12H,1-6,11H2,(H,13,14)/t7-,9+/m1/s1
InChIKeyIWTGKHDWZYEWIF-APPZFPTMSA-N
MW212.06 g/mol
LogP-0.37
Rot. Bonds5

About (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid

(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid (PubChem CID 123265170) has the molecular formula C9H17BN2O3 and a molecular weight of 212.06 g/mol. Its IUPAC name is (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid
PubChem CID123265170
Molecular FormulaC9H17BN2O3
Molecular Weight212.06 g/mol
Exact Mass212.13
IUPAC Name(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC[C@H]1CCCB=O
InChIInChI=1S/C9H17BN2O3/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10-15/h7,12H,1-6,11H2,(H,13,14)/t7-,9+/m1/s1
InChIKeyIWTGKHDWZYEWIF-APPZFPTMSA-N
XLogP-0.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
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 (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid (CID 123265170) is (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid is N[C@@]1(C(=O)O)CCNC[C@H]1CCCB=O.
What is the InChIKey of (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid?
The InChIKey is IWTGKHDWZYEWIF-APPZFPTMSA-N. The full InChI is InChI=1S/C9H17BN2O3/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10-15/h7,12H,1-6,11H2,(H,13,14)/t7-,9+/m1/s1.
What are the key properties of (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid?
(3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid has a molecular weight of 212.06 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-3-(3-oxoboranylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 123265170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).