![CAS 1060817-29-9 N-[(dimethylamino)carbonyl]glycine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1060817-29-9.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1060817-29-9 / 2-(dimethylcarbamoylamino)acetic acid
N-[(dimethylamino)carbonyl]glycine | 2-(3,3-Dimethylureido)acetic acid | 2-(dimethylcarbamoylamino)acetic acid
Basic Information
CAS
1060817-29-9
Multi CAS
No
Molecular Formula
C5H10N2O3
Molecular Weight
146.140000
Exact Mass
146.069142
SMILES
CN(C)C(=O)NCC(=O)O
InChI
InChI=1S/C5H10N2O3/c1-7(2)5(10)6-3-4(8)9/h3H2,1-2H3,(H,6,10)(H,8,9)
InChIKey
NIOSHQZHBSRBRU-UHFFFAOYSA-N
Synonyms
N-[(dimethylamino)carbonyl]glycine
2-(3,3-Dimethylureido)acetic acid
2-(dimethylcarbamoylamino)acetic acid
(Dimethylcarbamoyl)glycine
MFCD11053949
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.72
TPSA
69.64
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.59
XLogP3
-0.9
Consensus LogP
-0.72
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1060817-61-9 5-[(methylamino)carbonyl]-3-thiophenesulfonyl chloride(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1060817-61-9.gif)
