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CAS 120042-14-0 2(S)-Amino-4-azido-butanoic Acid molecular structure lightbox
CAS RN: 120042-14-0

2(S)-Amino-4-azido-butanoic Acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS120042-14-0
  • Purity/Analytical Methods: >99.0%
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120042-14-0 / (2S)-2-amino-4-azidobutanoic acid

azidohomoalanine | RefChem:916596 | azido homoalanine

Standard CAS: 120042-14-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120042-14-0
Multi CAS
Yes
Molecular Formula
C4H8N4O2
Molecular Weight
144.130000
Exact Mass
144.064726
SMILES
C(CN=[N+]=[N-])[C@@H](C(=O)O)N
InChI
InChI=1S/C4H8N4O2/c5-3(4(9)10)1-2-7-8-6/h3H,1-2,5H2,(H,9,10)/t3-/m0/s1
InChIKey
NNWQLZWAZSJGLY-VKHMYHEASA-N
Synonyms
azidohomoalanine RefChem:916596 azido homoalanine L-Azidohomoalanine (2S)-2-amino-4-azidobutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.24
TPSA
112.08

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-2.1
Consensus LogP
-0.64
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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