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CAS 114812-17-8 2-Pyrrolidinecarboxamide, 1-methyl-, (R)- (9CI) molecular structure lightbox
CAS RN: 114812-17-8

2-Pyrrolidinecarboxamide, 1-methyl-, (R)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS114812-17-8
  • Purity/Analytical Methods: >99.0%
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114812-17-8 / (2R)-1-methylpyrrolidine-2-carboxamide

1-methylpyrrolidine-2-carboxamide | rac 1-Methyl-pyrrolidine-2-carboxylic acid amide | MFCD12197400

Standard CAS: 114812-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114812-17-8
Multi CAS
Yes
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
CN1CCC[C@@H]1C(=O)N
InChI
InChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
InChIKey
IGERQMDMYFFQLC-RXMQYKEDSA-N
Synonyms
1-methylpyrrolidine-2-carboxamide rac 1-Methyl-pyrrolidine-2-carboxylic acid amide MFCD12197400 (2R)-1-methylpyrrolidine-2-carboxamide rac-1-Methyl-pyrrolidine-2-carboxylicacidamide

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
34.85
TPSA
46.33

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.39
XLogP3
-0.3
Consensus LogP
-0.37
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-3.81

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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