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CAS 1207853-53-9 tert-butyl (2S,4R)-4-aMino-2-(MethoxyMethyl)pyrrolidine-1-carbox molecular structure lightbox
CAS RN: 1207853-53-9

tert-butyl (2S,4R)-4-aMino-2-(MethoxyMethyl)pyrrolidine-1-carbox

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-022048
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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: ≥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 1207853-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1207853-53-9 / tert-butyl (2S,4R)-4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate | (2R,4R)-4-Amino-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester | (2S,4R)-4-Amino-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

Standard CAS: 1207853-53-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207853-53-9
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1COC)N
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(13)7-15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
WZADLKHOAYNHPG-BDAKNGLRSA-N
Synonyms
tert-butyl 4-amino-2-(methoxymethyl)pyrrolidine-1-carboxylate (2R,4R)-4-Amino-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester (2S,4R)-4-Amino-2-methoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester SCHEMBL3246572 WZADLKHOAYNHPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.2
TPSA
64.79

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.3
Consensus LogP
0.71
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.44

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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