CAS RN: 106873-99-8
N-Formyl-DL-2-aminobutyric 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.20251004 | 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTF0109
- Purity/Analytical Methods: >98.0%(GC)(T)
106873-99-8 / 2-formamidobutanoic acid
2-formamidobutanoic acid | 2-(Formylamino)butanoic acid | N-Formyl-Dl-2-Amino-N-Butyric Acid
Basic Information
CAS
106873-99-8
Multi CAS
No
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
SMILES
CCC(C(=O)O)NC=O
InChI
InChI=1S/C5H9NO3/c1-2-4(5(8)9)6-3-7/h3-4H,2H2,1H3,(H,6,7)(H,8,9)
InChIKey
QAISXTKWTBOYAA-UHFFFAOYSA-N
Synonyms
2-formamidobutanoic acid
2-(Formylamino)butanoic acid
N-Formyl-Dl-2-Amino-N-Butyric Acid
2-N-FORMYLAMIONO-BUTYRICACID
N-Formyl-DL-2-aminobutyric Acid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.91
TPSA
66.4
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.36
XLogP3
0.1
Consensus LogP
-0.22
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
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)
-3.81
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
