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(S) -N-Boc pipecolic acid

CAT: 0926-FB18851-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FB18851-01Size:5 g
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CAS Number
26250-84-0
Synonyms
(S) -N-Boc-piperidine-2-carboxylic acid; (S) -N-t-Butyloxycarbonyl-piperidine-2-carboxylic acid;1-t-Butyloxycarbonyl-L-pipecolinic acid ; Boc-Pip-OH
MDL Number
MFCD00151904
Smiles
CC (C) (C) OC (=O) N1CCCC[C@H]1C (=O) O
Molecular Formula
C11H19NO4
Molecular Weight
229.27 g/mol
Controlled
No

Chemical Information

(2S)-1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid
CAS Number26250-84-0
PubChem CID688617
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
Molecular FormulaC11H19NO4
Molecular Weight229.27
XLogP1.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
JQAOHGMPAAWWQO-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acid
CAS: 26250-84-0
CID: 688617
Formula: C11H19NO4
MW: 229.27
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight229.27
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass229.13140809
Monoisotopic Mass229.13140809
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes