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CAS 1161742-89-7 1-tert-butyl 3-ethyl (3S,4S)-4-aminopyrrolidine-1,3-dicarboxylate molecular structure lightbox
CAS RN: 1161742-89-7

1-tert-butyl 3-ethyl (3S,4S)-4-aminopyrrolidine-1,3-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 1g Out of stock 15 business days Inquiry
  • Product code: SSC-016293
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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: 0.25g
  • 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 1161742-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1161742-89-7 / 1-O-tert-butyl 3-O-ethyl (3S,4S)-4-aminopyrrolidine-1,3-dicarboxylate

TRANS-1-TERT-BUTYL 3-ETHYL 4-AMINOPYRROLIDINE-1,3-DICARBOXYLATE | (3S,4R)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate | TRANS-4-AMINO-1-N-BOC-3-PYRROLIDINECARBOXYLIc acid ETHYL ESTER

Standard CAS: 1161742-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1161742-89-7
Multi CAS
Yes
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
SMILES
CCOC(=O)[C@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O4/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4/h8-9H,5-7,13H2,1-4H3/t8-,9+/m0/s1
InChIKey
AIZZFYPYPULRFL-DTWKUNHWSA-N
Synonyms
TRANS-1-TERT-BUTYL 3-ETHYL 4-AMINOPYRROLIDINE-1,3-DICARBOXYLATE (3S,4R)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate TRANS-4-AMINO-1-N-BOC-3-PYRROLIDINECARBOXYLIc acid ETHYL ESTER O1-tert-butyl O3-ethyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate MFCD21608676

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.91
TPSA
81.86

LogP / Solubility

WLOGP
0.74
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

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

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