| CAS Number | 148706-15-4 |
| Catalog Number | AG00J9AD(AGN-PC-0O3RN8) |
| Chemical Name | 1-(Cyclopropylcarbonyl)proline |
| IUPAC Name | (2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C9H13NO3/c11-8(6-3-4-6)10-5-1-2-7(10)9(12)13/h6-7H,1-5H2,(H,12,13)/t7-/m0/s1 |
| InChI Key | JMTBEFVTZHIDBT-ZETCQYMHSA-N |
| MDL Number | MFCD12795272 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| SMILES | O=C([C@H]1N(C(C2CC2)=O)CCC1)O |
| Synonyms | 1-(Cyclopropylcarbonyl)-L-proline,
1-(CYCLOPROPYLCARBONYL)PROLINE,
148706-15-4,
SCHEMBL5743553,
CTK7I3262,
MFCD12795272,
ZINC11890644,
AKOS010373242,
AKOS015840818,
AJ-60360,
TR-066265,
CID10397462,
(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylic Acid,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number