| CAS Number | 224456-41-1 |
| Catalog Number | AG00CGDI(AGN-PC-09LF4H) |
| Chemical Name | 2-[4-(ETHOXYCARBONYL)PIPERIDIN-1-YL]ACETIC ACID |
| IUPAC Name | 2-(4-ethoxycarbonylpiperidin-1-yl)acetic acid |
| InChI | InChI=1S/C10H17NO4/c1-2-15-10(14)8-3-5-11(6-4-8)7-9(12)13/h8H,2-7H2,1H3,(H,12,13) |
| InChI Key | HRGCBRJWXRHEJU-UHFFFAOYSA-N |
| MDL Number | MFCD11848832 |
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.2463 |
| SMILES | CCOC(C1CCN(CC(O)=O)CC1)=O |
| Synonyms | [4-(ethoxycarbonyl)piperidin-1-yl]acetic acid,
224456-41-1,
2-[4-(ethoxycarbonyl)piperidin-1-yl]acetic acid,
1-Carbomoylmethyl-piperidine-4-carboxylic acid ethyl ester,
SCHEMBL4106557,
HRGCBRJWXRHEJU-UHFFFAOYSA-N,
ZINC61957961,
AKOS015957720,
MCULE-9427372146,
Z235576110,
[4-(ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride,
40479-23-0,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.249g/mol |
| Monoisotopic Mass | 215.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number