CAS RN: 1531930-93-4
5-methylmorpholine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS1531930-93-4
- Purity/Analytical Methods: >99.0%
1531930-93-4 / 5-methylmorpholine-2-carboxylic acid
Basic Information
CAS
1531930-93-4
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
CC1COC(CN1)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-4-3-10-5(2-7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
XCKFLDCAIOSMSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.84
TPSA
58.56
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.49
XLogP3
-2.8
Consensus LogP
-1.28
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(6-methyl-2-pyridinyl)-, (3aS,8aR)-
- CAS RN: 1532531-18-2
- Product Code: SSC-062778
-
TGR-1202 (R-enantiomer)
- CAS RN: 1532533-69-9
- Product Code: starshine_CAS1532533-69-9
- Purity/Analytical method: >99.0%
-
-
-
SCR7
- CAS RN: 1533426-72-0
- Product Code: starshine_CAS1533426-72-0
- Purity/Analytical method: >99.0%
![CAS 1532531-18-2 8H-Indeno[1,2-d]oxazole, 3a,8a-dihydro-2-(6-methyl-2-pyridinyl)-, (3aS,8aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1532531-18-2.gif)
