[email protected]
CAS 1001354-49-9 (2S,4S)-4-cyanopyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1001354-49-9

(2S,4S)-4-cyanopyrrolidine-2-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1001354-49-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1001354-49-9 / (2S,4S)-4-cyanopyrrolidine-2-carboxylic acid

SCHEMBL9439326

Standard CAS: 1001354-49-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1001354-49-9
Multi CAS
Yes
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)C#N
InChI
InChI=1S/C6H8N2O2/c7-2-4-1-5(6(9)10)8-3-4/h4-5,8H,1,3H2,(H,9,10)/t4-,5+/m1/s1
InChIKey
ZMDXRGOZLRLRQN-UHNVWZDZSA-N
Synonyms
SCHEMBL9439326

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.15
TPSA
73.12

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.38
XLogP3
-3
Consensus LogP
-1.27
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.88

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