CAS RN: 209216-56-8
1H-Pyrrole-3-propanoicacid,alpha-amino-(9CI)
- Product code: SSC-098923
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
209216-56-8 / 2-amino-3-(1H-pyrrol-3-yl)propanoic acid
Basic Information
CAS
209216-56-8
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
C1=CNC=C1CC(C(=O)O)N
InChI
InChI=1S/C7H10N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h1-2,4,6,9H,3,8H2,(H,10,11)
InChIKey
SDMNFUKYUGGKNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
3
Molar refractivity
40.11
TPSA
79.11
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-2.6
Consensus LogP
-0.89
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-ForMyl-pyrrole-1-carboxylic acid tert-butyl ester
- CAS RN: 209216-57-9
- Product Code: SSC-098924
-
Z-360
- CAS RN: 209219-38-5
- Product Code: starshine_CAS209219-38-5
- Purity/Analytical method: >99.0%
-
(2R)-2-[(tert-Butoxy)carbonylaMino]-3-[(2-nitrophenyl)aMino]propanoic acid
- CAS RN: 209223-32-5
- Product Code: starshine_CAS209223-32-5
- Purity/Analytical method: >99.0%
-
1-(2-broMophenyl)-2-Methylpropan-1-one
- CAS RN: 209223-84-7
- Product Code: starshine_CAS209223-84-7
- Purity/Analytical method: >99.0%
-
-
5-(3-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE
- CAS RN: 209224-91-9
- Product Code: SSC-098930
![CAS 209223-32-5 (2R)-2-[(tert-Butoxy)carbonylaMino]-3-[(2-nitrophenyl)aMino]propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209223-32-5.gif)
