CAS RN: 79839-26-2
(S)-(3-N-BOC-AMINO-2-OXO-PYRROLIDIN-1-YL)-ACETIC ACID
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.20250409 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79839-26-2
- Purity/Analytical Methods: >99.0%
79839-26-2 / 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
Basic Information
CAS
79839-26-2
Multi CAS
Yes
Molecular Formula
C11H18N2O5
Molecular Weight
258.270000
Exact Mass
258.121572
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKey
UYBMLDXQOFMMED-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.99
TPSA
95.94
LogP / Solubility
WLOGP
0.2
MLOGP
0.18
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-3-(BOC-AMINO)-2-OXO-1-AZEPINE-ACETIC ACID
- CAS RN: 79839-29-5
- Product Code: SSC-188890
-
ETHYL INDOLINE-2-CARBOXYLATE
- CAS RN: 79854-42-5
- Product Code: starshine_CAS79854-42-5
- Purity/Analytical method: >99.0%
-
-
1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylic acid
- CAS RN: 79858-48-3
- Product Code: SSC-188899
-
-
