CAS RN: 116049-23-1
(S)-4-Oxo-piperidine-2-carboxylic acid hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS116049-23-1
- Purity/Analytical Methods: >99.0%
116049-23-1 / (2S)-4-oxopiperidine-2-carboxylic acid;hydrochloride
4-OXOPIPERIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE | 4-oxopiperidine-2-carboxylic acid hcl | 4-oxopiperidine-2-carboxylic acid;hydrochloride
Basic Information
CAS
116049-23-1
Multi CAS
Yes
Molecular Formula
C6H10ClNO3
Molecular Weight
179.600000
Exact Mass
179.034921
SMILES
C1CN[C@@H](CC1=O)C(=O)O.Cl
InChI
InChI=1S/C6H9NO3.ClH/c8-4-1-2-7-5(3-4)6(9)10;/h5,7H,1-3H2,(H,9,10);1H/t5-;/m0./s1
InChIKey
OFWXKKQPXHHGRH-JEDNCBNOSA-N
Synonyms
4-OXOPIPERIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
4-oxopiperidine-2-carboxylic acid hcl
4-oxopiperidine-2-carboxylic acid;hydrochloride
MFCD17015054
4-oxopiperidine-2-carboxylicacidhydrochloride
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.92
TPSA
66.4
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.19
Consensus LogP
-0.18
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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