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CAS 1251904-26-3 (S)-2-((tert-butoxycarbonyl)amino)-3-morpholinopropanoic acid molecular structure lightbox
CAS RN: 1251904-26-3

(S)-2-((tert-butoxycarbonyl)amino)-3-morpholinopropanoic acid

  • Product code: SSC-029901
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1251904-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

1251904-26-3 / (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropanoic acid

Standard CAS: 1251904-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251904-26-3
Multi CAS
No
Molecular Formula
C12H22N2O5
Molecular Weight
274.310000
Exact Mass
274.152872
SMILES
CC(C)(C)OC(=O)N[C@@H](CN1CCOCC1)C(=O)O
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(17)13-9(10(15)16)8-14-4-6-18-7-5-14/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
MBIZSSCBPBRSDT-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.05
TPSA
88.1

LogP / Solubility

WLOGP
0.3
MLOGP
0.27
XLogP3
-2.1
Consensus LogP
-0.51
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-4.18

Drug-likeness / Medicinal Chemistry

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

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