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CAS 613256-52-3 1-[(2R)-3-Hydroxy-2-Methyl-1-oxopropyl]-L-proline molecular structure lightbox
CAS RN: 613256-52-3

1-[(2R)-3-Hydroxy-2-Methyl-1-oxopropyl]-L-proline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS613256-52-3
  • Purity/Analytical Methods: >99.0%
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613256-52-3 / (2S)-1-[(2R)-3-hydroxy-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 613256-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
613256-52-3
Multi CAS
No
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
InChI
InChI=1S/C9H15NO4/c1-6(5-11)8(12)10-4-2-3-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
InChIKey
OTGZFIBHHGZWEJ-RQJHMYQMSA-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
48.62
TPSA
77.84

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.6
Consensus LogP
-0.39
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-4.17

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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