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CAS 54503-10-5 tert-Butyl 2-carbamoylpyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 54503-10-5

tert-Butyl 2-carbamoylpyrrolidine-1-carboxylate

  • Product code: SSC-162196
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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: 10g
  • 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 54503-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

54503-10-5 / tert-butyl 2-carbamoylpyrrolidine-1-carboxylate

Standard CAS: 54503-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54503-10-5
Multi CAS
Yes
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)
InChIKey
PITJAAIPVBVRAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.16
TPSA
72.63

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
Consensus LogP
0.55
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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