| CAS Number | 1447714-17-1 |
| Catalog Number | AG019G4X |
| Chemical Name | (2S)-2-amino-2-cycloheptyl-aceticacid-A29666 |
| IUPAC Name | (2S)-2-amino-2-cycloheptylacetic acid |
| InChI | InChI=1S/C9H17NO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1 |
| InChI Key | GMLQOIMQMLOTNY-QMMMGPOBSA-N |
| MDL Number | MFCD12911713 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | N[C@H](C(=O)O)C1CCCCCC1 |
| Synonyms | (S)-2-amino-2-cycloheptylacetic acid,
(2S)-2-amino-2-cycloheptylacetic acid,
1447714-17-1,
49606-92-0,
PubChem16217,
SCHEMBL3578175,
CTK8D4066,
DTXSID90726686,
(2S)-Amino(cycloheptyl)acetic acid,
MFCD12911713,
ZINC67172112,
AKOS017344556,
CA-1931,
(2S)-2-Amino-2-cycloheptyl-acetic acid,
AS-52857,
AJ-116802,
TC-010696,
CS-0053443,
(2S)(c)\2(c)\amino(c)\2(c)\cycloheptylacetic acid,
(2S)2amino2cycloheptylacetic acid,
CB11428,
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| Complexity | 151 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
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