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CAS 110755-32-3 N-ALPHA-BOC-(R)-2-AMINO-3-(DIMETHYLAMINO)PROPIONIC ACID molecular structure lightbox
CAS RN: 110755-32-3

N-ALPHA-BOC-(R)-2-AMINO-3-(DIMETHYLAMINO)PROPIONIC ACID

  • Product code: SSC-011695
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110755-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

110755-32-3 / (2R)-3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(dimethylamino)propanoic acid | 2-(((Tert-butoxy)carbonyl)amino)-3-(dimethylamino)propanoic acid | RefChem:447110

Standard CAS: 110755-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110755-32-3
Multi CAS
Yes
Molecular Formula
C10H20N2O4
Molecular Weight
232.280000
Exact Mass
232.142307
SMILES
CC(C)(C)OC(=O)N[C@H](CN(C)C)C(=O)O
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-7(8(13)14)6-12(4)5/h7H,6H2,1-5H3,(H,11,15)(H,13,14)/t7-/m1/s1
InChIKey
VCDQZVYJKDSORW-SSDOTTSWSA-N
Synonyms
2-{[(tert-butoxy)carbonyl]amino}-3-(dimethylamino)propanoic acid 2-(((Tert-butoxy)carbonyl)amino)-3-(dimethylamino)propanoic acid RefChem:447110 839-996-4 Boc-aza-DL-leucine

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.35
TPSA
78.87

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
-1.7
Consensus LogP
-0.23
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.76

Drug-likeness / Medicinal Chemistry

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

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