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CAS 119768-58-0 2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoic Acid molecular structure lightbox
CAS RN: 119768-58-0

2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoic Acid

  • Product code: SSC-020499
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 119768-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

119768-58-0 / 2-amino-4-methoxy-3,3-dimethyl-4-oxobutanoic acid

2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoic acid | 2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoicAcid | MFCD20653658

Standard CAS: 119768-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119768-58-0
Multi CAS
No
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
SMILES
CC(C)(C(C(=O)O)N)C(=O)OC
InChI
InChI=1S/C7H13NO4/c1-7(2,6(11)12-3)4(8)5(9)10/h4H,8H2,1-3H3,(H,9,10)
InChIKey
UIIKWTKJGVDONY-UHFFFAOYSA-N
Synonyms
2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoic acid 2-Amino-4-methoxy-3,3-dimethyl-4-oxobutanoicAcid MFCD20653658 SCHEMBL28523524 SY271894

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.41
TPSA
89.62

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.36
XLogP3
-2.6
Consensus LogP
-1.12
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.07

Drug-likeness / Medicinal Chemistry

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

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