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CAS 1844898-16-3 methyl (2r,3s)-3-hydroxypyrrolidine-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1844898-16-3

methyl (2r,3s)-3-hydroxypyrrolidine-2-carboxylate hydrochloride

  • Product code: SSC-085299
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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: 1g
  • Available purity: ＞97%
  • 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 1844898-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1844898-16-3 / methyl (2R,3S)-3-hydroxypyrrolidine-2-carboxylate;hydrochloride

Standard CAS: 1844898-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1844898-16-3
Multi CAS
No
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
COC(=O)[C@H]1[C@H](CCN1)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-4(8)2-3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m0./s1
InChIKey
FPZOEPPXPLBIAN-UYXJWNHNSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.68
TPSA
58.56

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.32

Drug-likeness / Medicinal Chemistry

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

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