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CAS 1190-46-1 Nγ-Acetyl-L-2,4-diaminobutyric acid molecular structure lightbox
CAS RN: 1190-46-1

Nγ-Acetyl-L-2,4-diaminobutyric acid

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1190-46-1
  • Purity/Analytical Methods: >99.0%
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1190-46-1 / (2S)-4-acetamido-2-aminobutanoic acid

Butanoic acid, 4-(acetylamino)-2-amino- | DTXSID10274290 | RefChem:330879

Standard CAS: 1190-46-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1190-46-1
Multi CAS
Yes
Molecular Formula
C6H12N2O3
Molecular Weight
160.170000
Exact Mass
160.084792
SMILES
CC(=O)NCC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
YLZRFVZUZIJABA-YFKPBYRVSA-N
Synonyms
Butanoic acid, 4-(acetylamino)-2-amino- DTXSID10274290 RefChem:330879 DTXCID40225770 4-acetamido-2-aminobutanoic acid

Physical Properties

Melting Point
220 - 222 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.91
TPSA
92.42

LogP / Solubility

WLOGP
-1.08
MLOGP
-0.95
XLogP3
-4.4
Consensus LogP
-2.14
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
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)
-4.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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