N-Boc-3-methyl-4-piperidinecarboxylic Acid - CAS 512822-50-3
Catalog: |
BB072429 |
Product Name: |
N-Boc-3-methyl-4-piperidinecarboxylic Acid |
CAS: |
512822-50-3 |
Synonyms: |
N-Boc-3-methyl-4-piperidinecarboxylic acid; 1-(tert-Butoxycarbonyl)-3-methylpiperidine-4-carboxylic acid; 1-N-Boc-3-methyl-piperidine-4-carboxylic acid; 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic Acid; CIS-1-N-BOC-3-METHYL-ISONIPECOTICACID; 1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid; cis-1-[(tert-Butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid |
IUPAC Name: | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
Molecular Weight: | 243.3 |
Molecular Formula: | C12H21NO4 |
Canonical SMILES: | CC1CN(CCC1C(=O)O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H21NO4/c1-8-7-13(6-5-9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15) |
InChI Key: | ZFQQTPBWJCJGSV-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.14705815 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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