(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid

C9H19BN2O4 — CID 57331352

IUPAC(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC[C@@H]1CCCB(O)O
InChIInChI=1S/C9H19BN2O4/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10(15)16/h7,12,15-16H,1-6,11H2,(H,13,14)/t7-,9-/m0/s1
InChIKeyQGCXHYHXXBYKHC-CBAPKCEASA-N
MW230.07 g/mol
LogP-1.37
Rot. Bonds5

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

(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid (PubChem CID 57331352) has the molecular formula C9H19BN2O4 and a molecular weight of 230.07 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid
PubChem CID57331352
Molecular FormulaC9H19BN2O4
Molecular Weight230.07 g/mol
Exact Mass230.14
IUPAC Name(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid
SMILESN[C@@]1(C(=O)O)CCNC[C@@H]1CCCB(O)O
InChIInChI=1S/C9H19BN2O4/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10(15)16/h7,12,15-16H,1-6,11H2,(H,13,14)/t7-,9-/m0/s1
InChIKeyQGCXHYHXXBYKHC-CBAPKCEASA-N
XLogP-1.37
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid (CID 57331352) is (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid is N[C@@]1(C(=O)O)CCNC[C@@H]1CCCB(O)O.
What is the InChIKey of (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid?
The InChIKey is QGCXHYHXXBYKHC-CBAPKCEASA-N. The full InChI is InChI=1S/C9H19BN2O4/c11-9(8(13)14)3-5-12-6-7(9)2-1-4-10(15)16/h7,12,15-16H,1-6,11H2,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid?
(3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid has a molecular weight of 230.07 g/mol, XLogP of -1.37, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-(3-boronopropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 57331352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).