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CAS 132696-45-8 (R)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID molecular structure lightbox
CAS RN: 132696-45-8

(R)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-039511
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: 97%
  • 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 132696-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 97% 0 Out of Stock Shanghai Inquiry
0.25g 97% 0 Out of Stock Shanghai Inquiry
1g 97% 0 Out of Stock Shenzhen Inquiry
5g 97% 0 Out of Stock Beijing Inquiry

132696-45-8 / (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 132696-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132696-45-8
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
SMILES
C[C@H](CNC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKey
GDQRNRYMFXDGMS-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.04
TPSA
75.63

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.09

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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