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CAS 101772-29-6 BOC-N-ME-SER-OH molecular structure lightbox
CAS RN: 101772-29-6

BOC-N-ME-SER-OH

  • Product code: SSC-002759
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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, 1g, 25g, 5g, 10g, 100g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 101772-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
10g >97% 3 In Stock Beijing Inquiry
100g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry

101772-29-6 / (2S)-3-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

N-(tert-Butoxycarbonyl)-N-methylserine | N-Boc-N-methyl-DL-serine | SCHEMBL626315

Standard CAS: 101772-29-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101772-29-6
Multi CAS
Yes
Molecular Formula
C9H17NO5
Molecular Weight
219.230000
Exact Mass
219.110673
SMILES
CC(C)(C)OC(=O)N(C)[C@@H](CO)C(=O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10(4)6(5-11)7(12)13/h6,11H,5H2,1-4H3,(H,12,13)/t6-/m0/s1
InChIKey
NJQGIDVCNBZXLG-LURJTMIESA-N
Synonyms
N-(tert-Butoxycarbonyl)-N-methylserine N-Boc-N-methyl-DL-serine SCHEMBL626315 MFCD24390316 PD196938

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.51
TPSA
87.07

LogP / Solubility

WLOGP
0.3
MLOGP
0.27
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.85

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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