CAS RN: 119830-32-9
3-(N-Benzylamino)-L-alanine
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.20260210 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS119830-32-9
- Purity/Analytical Methods: >99.0%
119830-32-9 / (2S)-2-amino-3-(benzylamino)propanoic acid
(S)-2-Amino-3-(Benzylamino)Propanoic Acid | (2S)-2-amino-3-(benzylamino)propanoic Acid | 3-(N-Benzylamino)-L-alanine
Basic Information
CAS
119830-32-9
Multi CAS
Yes
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
C1=CC=C(C=C1)CNC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H14N2O2/c11-9(10(13)14)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2,(H,13,14)/t9-/m0/s1
InChIKey
GBGMJYPWCZYLAW-VIFPVBQESA-N
Synonyms
(S)-2-Amino-3-(Benzylamino)Propanoic Acid
(2S)-2-amino-3-(benzylamino)propanoic Acid
3-(N-Benzylamino)-L-alanine
L-Alanine, 3-[(phenylmethyl)amino]-
(2S)-2-amino-3-[benzylamino]propanoic acid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.76
TPSA
75.35
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
-2.3
Consensus LogP
-0.65
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.77
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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