[email protected]
CAS 111652-20-1 N-(tert-Butoxycarbonyl)glycine tert-Butyl Ester molecular structure lightbox
CAS RN: 111652-20-1

N-(tert-Butoxycarbonyl)glycine tert-Butyl Ester

  • Product code: SSC-012261
GET A QUOTE
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: 1g, 10g, 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 111652-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 3 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

111652-20-1 / tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

tert-Butyl ((tert-butoxycarbonyl)amino)acetate | EC 696-236-2 | tert-butyl [(tert-butoxycarbonyl)amino]acetate

Standard CAS: 111652-20-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111652-20-1
Multi CAS
Yes
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
SMILES
CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
InChIKey
ZDKFMHKWZATBMR-UHFFFAOYSA-N
Synonyms
tert-Butyl ((tert-butoxycarbonyl)amino)acetate EC 696-236-2 tert-butyl [(tert-butoxycarbonyl)amino]acetate RefChem:891528 696-236-2

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.08
TPSA
64.63

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us