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(S) -1-N-Boc-beta-proline

CAT: 0024-sc-264259Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264259Size:100 mg
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CAS Number
140148-70-5

Chemical Information

(3S)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CAS Number140148-70-5
PubChem CID1512492
IUPAC Name(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Molecular FormulaC10H17NO4
Molecular Weight215.25
XLogP0.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity269
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
HRMRQBJUFWFQLX-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of (3S)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
CAS: 140148-70-5
CID: 1512492
Formula: C10H17NO4
MW: 215.25
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight215.25
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass215.11575802
Monoisotopic Mass215.11575802
Topological Polar Surface Area66.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity269
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