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CAS 115186-37-3 N-(TERT-BUTOXYCARBONYL)-L-PROLINE N’-METHOXY-N’-METHYLAMIDE molecular structure lightbox
CAS RN: 115186-37-3

N-(TERT-BUTOXYCARBONYL)-L-PROLINE N’-METHOXY-N’-METHYLAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 1g In stock Shanghai Inquiry
  • Product code: SSC-014875
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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 115186-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

115186-37-3 / tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

1,1-Dimethylethyl (2S)-2-((methoxymethylamino)carbonyl)-1-pyrrolidinecarboxylate | 1,1-Dimethylethyl (2S)-2-[(methoxymethylamino)carbonyl]-1-pyrrolidinecarboxylate | RefChem:409994

Standard CAS: 115186-37-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115186-37-3
Multi CAS
Yes
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-7-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
KPVRHJIGNMLCHG-VIFPVBQESA-N
Synonyms
1,1-Dimethylethyl (2S)-2-((methoxymethylamino)carbonyl)-1-pyrrolidinecarboxylate 1,1-Dimethylethyl (2S)-2-[(methoxymethylamino)carbonyl]-1-pyrrolidinecarboxylate RefChem:409994 Boc-Pro-NMe(OMe) (S)-TERT-BUTYL 2-(METHOXY(METHYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.74
TPSA
59.08

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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