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CAS 220226-11-9 Carbamic acid, [[(3R)-5-oxo-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 220226-11-9

Carbamic acid, [[(3R)-5-oxo-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS220226-11-9
  • Purity/Analytical Methods: >99.0%
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220226-11-9 / tert-butyl N-[[(3R)-5-oxopyrrolidin-3-yl]methyl]carbamate

Standard CAS: 220226-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220226-11-9
Multi CAS
No
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC(=O)NC1
InChI
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-8(13)11-5-7/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)/t7-/m1/s1
InChIKey
IIYJKESUJITBBK-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.35
TPSA
67.43

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.47
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-3.57

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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