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CAS 177948-33-3 Methyl 2-AMino-2-(1-Boc-4-piperidyl)acetate molecular structure lightbox
CAS RN: 177948-33-3

Methyl 2-AMino-2-(1-Boc-4-piperidyl)acetate

  • Product code: SSC-077827
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 0.25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 177948-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Beijing Inquiry

177948-33-3 / tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Standard CAS: 177948-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177948-33-3
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C(=O)OC)N
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4/h9-10H,5-8,14H2,1-4H3
InChIKey
KCWQYYUIIOHOLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.52
TPSA
81.86

LogP / Solubility

WLOGP
1.13
MLOGP
1.01
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

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

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