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CAS 190141-99-2 1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester(9CI) molecular structure lightbox
CAS RN: 190141-99-2

1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester(9CI)

  • Product code: SSC-089040
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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 190141-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

190141-99-2 / tert-butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate

Standard CAS: 190141-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190141-99-2
Multi CAS
No
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)O)N
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3
InChIKey
MOZOQDNRVPHFOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.79
TPSA
75.79

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.6
Consensus LogP
-0.25
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
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)
-4.01

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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