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CAS 1932299-93-8 (S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(OXETAN-3-YL)ACETIC ACID molecular structure lightbox
CAS RN: 1932299-93-8

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(OXETAN-3-YL)ACETIC ACID

  • Product code: SSC-090502
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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 1932299-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1932299-93-8 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid

Standard CAS: 1932299-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1932299-93-8
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(C)(C)OC(=O)N[C@@H](C1COC1)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(8(12)13)6-4-15-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
ZGLWUVSYEVUTKH-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.1
TPSA
84.86

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.4
Consensus LogP
0.52
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

Drug-likeness / Medicinal Chemistry

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

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