3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI) (CAS 428518-39-2) — formula C8H13NO3, molecular weight 171.19; category organic chemicals.
| CAS Number | 428518-39-2 |
|---|---|
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.19 |
| LogP | -0.2 |
| Category | Organic Chemicals |
3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI) is a carbon-based organic compound with CAS registry number 428518-39-2 and molecular formula C8H13NO3 (molecular weight 171.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 428518-39-2
Its molecular formula C8H13NO3 comprises 8 C, 13 H, 1 N, 3 O atoms.
Also known as: 3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI) · 3-吡咯烷甲酸,1-(1-甲基乙基)-5-氧代-,(3S)-(9Cl)
Category: organic chemicals
The CAS registry number of 3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI) is 428518-39-2.
Molecular formula C8H13NO3, molecular weight 171.19.
It is also registered under: 3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI), 3-吡咯烷甲酸,1-(1-甲基乙基)-5-氧代-,(3S)-(9Cl).
Category: Organic Chemicals.
Independent reference data for 3-Pyrrolidinecarboxylicacid,1-(1-methylethyl)-5-oxo-,(3S)-(9CI) (CAS 428518-39-2), compiled from public chemistry databases.
| CAS 号 | 428518-39-2 |
|---|---|
| PubChem CID | 7046694 |
| 分子式 | C8H13NO3 |
| IUPAC 名称 | (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid |
| Molecular Weight | 171.19 |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.08954328 |
| Monoisotopic Mass | 171.08954328 |
| Topological Polar Surface Area | 57.6 |
| Heavy Atom Count | 12 |
428518-39-2; (3S)-5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid; DTXSID80427559; RefChem:208307; DTXCID60378393; (S)-1-Isopropyl-5-oxopyrrolidine-3-carboxylic acid; SCHEMBL25227301; SCHEMBL30282392
3-吡咯烷甲酸,1-(1-甲基乙基)-5-氧代-,(3S)-(9Cl) · CAS 428518-39-2 · C8H13NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.