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CAS 109837-32-3 L-Proline, 2-methyl-, methyl ester (9CI) molecular structure lightbox
CAS RN: 109837-32-3

L-Proline, 2-methyl-, methyl ester (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS109837-32-3
  • Purity/Analytical Methods: >99.0%
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109837-32-3 / methyl (2S)-2-methylpyrrolidine-2-carboxylate

(S)-METHYL 2-METHYLPYRROLIDINE-2-CARBOXYLATE | Methyl (2S)-2-methylpyrrolidine-2-carboxylate | methyl 2-methyl-L-prolinate

Standard CAS: 109837-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109837-32-3
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
C[C@]1(CCCN1)C(=O)OC
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10-2)4-3-5-8-7/h8H,3-5H2,1-2H3/t7-/m0/s1
InChIKey
CCNBDZFBJCGDIV-ZETCQYMHSA-N
Synonyms
(S)-METHYL 2-METHYLPYRROLIDINE-2-CARBOXYLATE Methyl (2S)-2-methylpyrrolidine-2-carboxylate methyl 2-methyl-L-prolinate MFCD13191669 methyl (S)-2-methylpyrrolidine-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.66
TPSA
38.33

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.4
Consensus LogP
0.32
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.38

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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