![CAS 1064779-86-7 2-[Amino(cyclopropyl)methyl]propanedioic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1064779-86-7.png)
CAS RN: 1064779-86-7
2-[Amino(cyclopropyl)methyl]propanedioic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA888887
1064779-86-7 / 2-[amino(cyclopropyl)methyl]propanedioic acid
2-(Amino(cyclopropyl)methyl)malonic acid | 2-[amino(cyclopropyl)methyl]propanedioic acid | 2-(Amino(cyclopropyl)methyl)malonicacid
Basic Information
CAS
1064779-86-7
Multi CAS
No
Molecular Formula
C7H11NO4
Molecular Weight
173.170000
Exact Mass
173.068808
SMILES
C1CC1C(C(C(=O)O)C(=O)O)N
InChI
InChI=1S/C7H11NO4/c8-5(3-1-2-3)4(6(9)10)7(11)12/h3-5H,1-2,8H2,(H,9,10)(H,11,12)
InChIKey
ACSBQRMLFHRUDN-UHFFFAOYSA-N
Synonyms
2-(Amino(cyclopropyl)methyl)malonic acid
2-[amino(cyclopropyl)methyl]propanedioic acid
2-(Amino(cyclopropyl)methyl)malonicacid
E86830
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.46
TPSA
100.62
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.44
XLogP3
-2.9
Consensus LogP
-1.28
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
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
2
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