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CAS 105397-92-0 3-morpholin-4-yl-3-oxopropanoic acid molecular structure lightbox
CAS RN: 105397-92-0

3-morpholin-4-yl-3-oxopropanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS105397-92-0
  • Purity/Analytical Methods: >99.0%
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105397-92-0 / 3-morpholin-4-yl-3-oxopropanoic acid

3-morpholin-4-yl-3-oxopropanoic acid | DTXSID10439908 | RefChem:281231

Standard CAS: 105397-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105397-92-0
Multi CAS
No
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
SMILES
C1COCCN1C(=O)CC(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(5-7(10)11)8-1-3-12-4-2-8/h1-5H2,(H,10,11)
InChIKey
LVGHBHBZMHIHNU-UHFFFAOYSA-N
Synonyms
3-morpholin-4-yl-3-oxopropanoic acid DTXSID10439908 RefChem:281231 DTXCID40390730 3-(4-MORPHOLINYL)-3-OXOPROPANOIC ACID

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.65
TPSA
66.84

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.6
XLogP3
-1
Consensus LogP
-0.76
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-4.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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