[email protected]
CAS 1217598-26-9 D-Proline, 4-amino-, (4R)- molecular structure lightbox
CAS RN: 1217598-26-9

D-Proline, 4-amino-, (4R)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1217598-26-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217598-26-9 / (2R,4R)-4-aminopyrrolidine-2-carboxylic acid

Standard CAS: 1217598-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217598-26-9
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
C1[C@H](CN[C@H]1C(=O)O)N
InChI
InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m1/s1
InChIKey
SHINASQYHDCLEU-QWWZWVQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.02
TPSA
75.35

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.1
XLogP3
-3.6
Consensus LogP
-1.98
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.4
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us