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CAS 1935392-13-4 1-(TERT-BUTOXYCARBONYL)-4-HYDROXY-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1935392-13-4

1-(TERT-BUTOXYCARBONYL)-4-HYDROXY-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID

  • Product code: SSC-091120
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1935392-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1935392-13-4 / 4-hydroxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Standard CAS: 1935392-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935392-13-4
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC1(CN(CC1O)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-5-7(13)11(4,6-12)8(14)15/h7,13H,5-6H2,1-4H3,(H,14,15)
InChIKey
DUFNWGXIKVWFIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.56
TPSA
87.07

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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