CAS RN: 2059912-14-8
2S,3S-2-Methyl-piperidine-3-carboxylic acid hydrochloride
- Product code: SSC-097010
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2059912-14-8 / (2S,3S)-2-methylpiperidine-3-carboxylic acid;hydrochloride
Basic Information
CAS
2059912-14-8
Multi CAS
No
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
C[C@H]1[C@H](CCCN1)C(=O)O.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-5-6(7(9)10)3-2-4-8-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6-;/m0./s1
InChIKey
JFNYEWGRLZUUDY-GEMLJDPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.07
TPSA
49.33
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
tert-butyl (3S,5R)-3-amino-5-fluoropiperidine-1-carboxylate
- CAS RN: 2059917-34-7
- Product Code: SSC-097013
-
4-Pentynoic acid, 5-[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-, methyl ester
- CAS RN: 2059920-01-1
- Product Code: SSC-097015
-
-
(3-Bromopyridin-4-yl)methanamine dihydrochloride
- CAS RN: 2059942-27-5
- Product Code: SSC-097027
-
2(1H)-Isoquinolinecarboxylic acid, 5-amino-8-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
- CAS RN: 2059944-11-3
- Product Code: starshine_CAS2059944-11-3
- Purity/Analytical method: >99.0%
![CAS 2059920-01-1 4-Pentynoic acid, 5-[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2059920-01-1.png)
![CAS 2059941-89-6 bicyclo[4.1.0]heptan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2059941-89-6.png)
