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CAS 937601-51-9 1-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 937601-51-9

1-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

  • Product code: SSC-208222
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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: 5g
  • 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 937601-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

937601-51-9 / 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

Standard CAS: 937601-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937601-51-9
Multi CAS
No
Molecular Formula
C15H24N2O5
Molecular Weight
312.360000
Exact Mass
312.168522
InChI
InChI=1S/C15H24N2O5/c1-15(2,3)22-14(21)16-6-4-11(5-7-16)17-9-10(13(19)20)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,19,20)
InChIKey
KEMNWHGXIQXFNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.28
TPSA
87.15

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
0.4
Consensus LogP
0.96
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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