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CAS 3770-16-9 1-methyl-5-oxopyrrolidine-2-carboxamide molecular structure lightbox
CAS RN: 3770-16-9

1-methyl-5-oxopyrrolidine-2-carboxamide

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Batchno.20250210 100mg / 250mg / 1g Out of stock 1 business days Inquiry
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3770-16-9 / 1-methyl-5-oxopyrrolidine-2-carboxamide

1-Methyl-5-oxopyrrolidine-2-carboxamide | SCHEMBL4461460 | SCHEMBL14152438

Standard CAS: 3770-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3770-16-9
Multi CAS
No
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
SMILES
CN1C(CCC1=O)C(=O)N
InChI
InChI=1S/C6H10N2O2/c1-8-4(6(7)10)2-3-5(8)9/h4H,2-3H2,1H3,(H2,7,10)
InChIKey
KLBSBVDLPIOJRF-UHFFFAOYSA-N
Synonyms
1-Methyl-5-oxopyrrolidine-2-carboxamide SCHEMBL4461460 SCHEMBL14152438 MFCD19208267 AKOS006362401

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.99
TPSA
63.4

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-1.2
Consensus LogP
-0.97
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-4.23

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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