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: 1g, 5g, 100g, 10g, 25g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | -- | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
1119-33-1 / (2S)-2-amino-5-ethoxy-5-oxopentanoic acid
Ethyl glutamate | L-Glutamic acid 5-ethyl ester | L-Glutamic acid gamma-ethyl ester
Basic Information
CAS
1119-33-1
Multi CAS
Yes
Molecular Formula
C7H13NO4
Molecular Weight
175.180000
Exact Mass
175.084458
SMILES
CCOC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKey
XMQUEQJCYRFIQS-YFKPBYRVSA-N
Synonyms
Ethyl glutamate
L-Glutamic acid 5-ethyl ester
L-Glutamic acid gamma-ethyl ester
gamma-Ethylglutamate
ethyl l-glutamate
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.48
TPSA
89.62
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
-3
Consensus LogP
-1.16
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.18
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
