| CAS Number | 1044637-62-8 |
| Catalog Number | AG00HACR(AGN-PC-0WCY5W) |
| Chemical Name | 1-Isobutyl-l-proline |
| IUPAC Name | (2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C9H17NO2/c1-7(2)6-10-5-3-4-8(10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1 |
| InChI Key | FVHTZNQHKOBGHA-QMMMGPOBSA-N |
| MDL Number | MFCD11053658 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | O=C([C@H]1N(CC(C)C)CCC1)O |
| Synonyms | 1-Isobutyl-L-proline,
1044637-62-8,
(S)-1-Isobutylpyrrolidine-2-carboxylic acid,
SCHEMBL1955445,
1-(2-Methylpropyl)-L-proline,
DTXSID70654579,
ZINC8699063,
FCH923086,
MFCD11053658,
AKOS006343098,
AS-37939,
AB0076552,
AX8266867,
CS-0055124,
(S)-1-Isobutyl-pyrrolidine-2-carboxylic acid,
X-2126,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number