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CAS 1821837-71-1 (3R)-4-Methyl-morpholine-3-carboxylic acid molecular structure lightbox
CAS RN: 1821837-71-1

(3R)-4-Methyl-morpholine-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: LINR927179
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1821837-71-1 / (3R)-4-methylmorpholine-3-carboxylic acid

Standard CAS: 1821837-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1821837-71-1
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
CN1CCOC[C@@H]1C(=O)O
InChI
InChI=1S/C6H11NO3/c1-7-2-3-10-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey
PJCXUSBLNCTAJP-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.87
TPSA
49.77

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.53
XLogP3
-2.8
Consensus LogP
-1.31
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-4.03

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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