| CAS Number | 666853-16-3 |
| Catalog Number | AG00G1IT(AGN-PC-086F8X) |
| Chemical Name | 2-(4-(tert-butoxycarbonyl)-2-methylpiperazin-1-yl)acetic acid |
| IUPAC Name | 2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid |
| InChI | InChI=1S/C12H22N2O4/c1-9-7-14(11(17)18-12(2,3)4)6-5-13(9)8-10(15)16/h9H,5-8H2,1-4H3,(H,15,16) |
| InChI Key | DTPBLKDYIFKPAT-UHFFFAOYSA-N |
| MDL Number | MFCD10698347 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | CC1CN(C(=O)OC(C)(C)C)CCN1CC(=O)O |
| Synonyms | 666853-16-3,
2-(4-(TERT-BUTOXYCARBONYL)-2-METHYLPIPERAZIN-1-YL)ACETIC ACID,
4-Carboxymethyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester,
2-(4-(BOC)-2-METHYLPIPERAZIN-1-YL)ACETIC ACID,
[4-(tert-butoxycarbonyl)-2-methylpiperazin-1-yl]acetic acid,
SCHEMBL13812253,
DTXSID30678175,
MFCD10698347,
AKOS015949243,
AB61894,
CS-W001616,
RP07612,
AM101114,
AS-50733,
FT-0684994,
Y9770,
J-505866,
2-(4-(t-Butoxycarbonyl)-2-methylpiperazin-1-yl)acetic acid,
C12H22N2O4,
2-{4-[(tert-butoxy)carbonyl]-2-methylpiperazin-1-yl}acetic acid,
N/A,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
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