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Cis-4-Hydroxy-D-proline methyl ester HCl

CAT: 0024-sc-263070ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-263070ASize:1 g
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CAS Number
114676-47-0

Chemical Information

(2R,4R)-methyl 4-hydroxypyrrolidine-2-carboxylate
CAS Number114676-47-0
PubChem CID7020012
IUPAC Namemethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
Molecular FormulaC6H11NO3
Molecular Weight145.16
XLogP-0.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity137
SMILES
COC(=O)[C@H]1C[C@H](CN1)O
InChI
InChI=1S/C6H11NO3/c1-10-6(9)5-2-4(8)3-7-5/h4-5,7-8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
ZORHSASAYVIBLY-RFZPGFLSSA-N
Chemical Structure
2D Structure
2D structure of (2R,4R)-methyl 4-hydroxypyrrolidine-2-carboxylate
CAS: 114676-47-0
CID: 7020012
Formula: C6H11NO3
MW: 145.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass145.07389321
Monoisotopic Mass145.07389321
Topological Polar Surface Area58.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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280066-01Cis-4-Hydroxy-d-proline methyl ester hydrochloride
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458473-01N-Cbz-cis-4-hydroxy-l-proline methyl ester
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