CAS RN: 1932197-90-4
(1R,2S)-2-tert-Butoxycarbonylamino-cyclopropanecarboxylic acid
- Product code: SSC-090449
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1932197-90-4 / cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Basic Information
CAS
1932197-90-4
Multi CAS
No
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1
InChIKey
NOZMNADEEKQWGO-RITPCOANSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.9
TPSA
75.63
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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