[email protected]
CAS 105504-72-1 N-BOC-(+/-)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID molecular structure lightbox
CAS RN: 105504-72-1

N-BOC-(+/-)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS105504-72-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105504-72-1 / 3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-methylbutanoic acid | (2S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid | RefChem:397996

Standard CAS: 105504-72-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105504-72-1
Multi CAS
Yes
Molecular Formula
C10H19NO5
Molecular Weight
233.260000
Exact Mass
233.126323
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)O
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)
InChIKey
SZVRVSZFEDIMFM-UHFFFAOYSA-N
Synonyms
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-methylbutanoic acid (2S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid RefChem:397996 676-409-9 (S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-methylbutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.09
TPSA
95.86

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.62

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us