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CAS 25712-60-1 1-METHYLPYRROLIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 25712-60-1

1-METHYLPYRROLIDINE-3-CARBOXYLIC ACID

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 100mg / 250mg / 1g Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS25712-60-1
  • Purity/Analytical Methods: >99.0%
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25712-60-1 / 1-methylpyrrolidine-3-carboxylic acid

Standard CAS: 25712-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25712-60-1
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CN1CCC(C1)C(=O)O
InChI
InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
LJGFIWDOHOWUOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.24
TPSA
40.54

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
-2.4
Consensus LogP
-0.79
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very 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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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