CAS RN: 1009075-40-4
(R)-1-BOC-2-(ETHYLAMINOMETHYL)-PYRROLIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250128 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1009075-40-4
- Purity/Analytical Methods: >99.0%
1009075-40-4 / tert-butyl (2R)-2-(ethylaminomethyl)pyrrolidine-1-carboxylate
(S)-TERT-BUTYL 2-((ETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE | tert-butyl (2S)-2-(ethylaminomethyl)pyrrolidine-1-carboxylate | (S)-2-Ethylaminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Basic Information
CAS
1009075-40-4
Multi CAS
Yes
Molecular Formula
C12H24N2O2
Molecular Weight
228.330000
Exact Mass
228.183778
SMILES
CCNC[C@H]1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-5-13-9-10-7-6-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKey
RKMARTBPQCEJTJ-SNVBAGLBSA-N
Synonyms
(S)-TERT-BUTYL 2-((ETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (2S)-2-(ethylaminomethyl)pyrrolidine-1-carboxylate
(S)-2-Ethylaminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-butyl (S)-2-((ethylamino)methyl)pyrrolidine-1-carboxylate
SCHEMBL2486249
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.51
TPSA
41.57
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.7
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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