CAS RN: 1758-77-6
L-2-aziridinecarboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250707 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1758-77-6
- Purity/Analytical Methods: >99.0%
1758-77-6 / (2S)-aziridine-2-carboxylic acid
Basic Information
CAS
1758-77-6
Multi CAS
No
Molecular Formula
C3H5NO2
Molecular Weight
87.080000
Exact Mass
87.032028
SMILES
C1[C@H](N1)C(=O)O
InChI
InChI=1S/C3H5NO2/c5-3(6)2-1-4-2/h2,4H,1H2,(H,5,6)/t2-/m0/s1
InChIKey
WBGBOXYJYPVLQJ-REOHCLBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.43
TPSA
59.24
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.86
XLogP3
-3.1
Consensus LogP
-1.64
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.45
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.93
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
2
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