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CAS 52899-09-9 H-PRO-VAL-OH molecular structure lightbox
CAS RN: 52899-09-9

H-PRO-VAL-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52899-09-9
  • Purity/Analytical Methods: >99.0%
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52899-09-9 / 3-methyl-2-(pyrrolidine-2-carbonylamino)butanoic acid

Standard CAS: 52899-09-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
52899-09-9
Multi CAS
Yes
Molecular Formula
C10H18N2O3
Molecular Weight
214.260000
Exact Mass
214.131742
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
AWJGUZSYVIVZGP-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.43
TPSA
78.43

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.03
XLogP3
-2.9
Consensus LogP
-0.99
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-4.05

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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