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CAS 133498-97-2 Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-N-methyl- molecular structure lightbox
CAS RN: 133498-97-2

Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-N-methyl-

  • Product code: SSC-040299
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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 133498-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

133498-97-2 / 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid

Standard CAS: 133498-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133498-97-2
Multi CAS
No
Molecular Formula
C10H18N2O5
Molecular Weight
246.260000
Exact Mass
246.121572
SMILES
CC(C)(C)OC(=O)NCC(=O)N(C)CC(=O)O
InChI
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)11-5-7(13)12(4)6-8(14)15/h5-6H2,1-4H3,(H,11,16)(H,14,15)
InChIKey
VNYXZTSJRJLBSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.51
TPSA
95.94

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-4.18

Drug-likeness / Medicinal Chemistry

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

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