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CAS 77448-58-9 (S)-2-Amino-2-(1-hydroxycyclopropyl)acetic acid molecular structure lightbox
CAS RN: 77448-58-9

(S)-2-Amino-2-(1-hydroxycyclopropyl)acetic acid

  • Product code: SSC-187000
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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: 0.25g
  • 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 77448-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

77448-58-9 / (2S)-2-amino-2-(1-hydroxycyclopropyl)acetic acid

Standard CAS: 77448-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77448-58-9
Multi CAS
Yes
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
InChI
InChI=1S/C5H9NO3/c6-3(4(7)8)5(9)1-2-5/h3,9H,1-2,6H2,(H,7,8)/t3-/m1/s1
InChIKey
PMDLOOQFASKEJA-GSVOUGTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.79
TPSA
83.55

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.96
XLogP3
-3.1
Consensus LogP
-1.71
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.28

Drug-likeness / Medicinal Chemistry

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

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