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CAS 90711-56-1 N-{[(Prop-2-en-1-yl)oxy]carbonyl}glycine, ({[(Prop-2-en-1-yl)oxy]carbonyl}amino)acetic acid molecular structure lightbox
CAS RN: 90711-56-1

N-{[(Prop-2-en-1-yl)oxy]carbonyl}glycine, ({[(Prop-2-en-1-yl)oxy]carbonyl}amino)acetic acid

  • Product code: SSC-203322
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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 90711-56-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

90711-56-1 / 2-(prop-2-enoxycarbonylamino)acetic acid

Standard CAS: 90711-56-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90711-56-1
Multi CAS
Yes
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c1-2-3-11-6(10)7-4-5(8)9/h2H,1,3-4H2,(H,7,10)(H,8,9)
InChIKey
ZNUQQBSUOAMEBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.18
TPSA
75.63

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.2
Consensus LogP
0.05
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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