CAS RN: 1373232-20-2
(3S)-4,4-Dimethyl-pyrrolidine-3-carboxylic acid
- Product code: SSC-046806
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1373232-20-2 / (3S)-4,4-dimethylpyrrolidine-3-carboxylic acid
Basic Information
CAS
1373232-20-2
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC1(CNC[C@H]1C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKey
FWOHOVIXBANHEB-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.78
TPSA
49.33
LogP / Solubility
WLOGP
0.32
MLOGP
0.27
XLogP3
-2
Consensus LogP
-0.47
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-benzyl 2-Methyl-3-oxopiperazine-1-carboxylate
- CAS RN: 1373232-22-4
- Product Code: SSC-046807
-
N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide hydrochloride
- CAS RN: 1373232-26-8
- Product Code: starshine_CAS1373232-26-8
- Purity/Analytical method: >99.0%
-
(S)-6-Fluoro-1,2,3,4-tetrahydro-naphthalen-1-ylamine hydrochloride
- CAS RN: 1373232-27-9
- Product Code: SSC-046809
-
(R)-1,3-Dimethyl-piperazin-2-one hydrochloride
- CAS RN: 1373232-29-1
- Product Code: SSC-046810
-
-
5-AMino-3-(trifluoroMethyl)pyridin-2(1h)-one
- CAS RN: 1373232-58-6
- Product Code: SSC-046814
![CAS 1373232-26-8 N-[(1S)-1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373232-26-8.gif)
![CAS 1373232-31-5 (S)-[1,4]Oxazepan-6-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373232-31-5.gif)
