Boc-3,4-dehydro-D-proline

CAT: 0127-OR452099Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR452099Size:1 g

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CAS Number

58617-29-1

MDL Number

MFCD02682668

Purity

97%

Smiles

CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)O

Chemical Information

N-Boc-3,4-dehydro-D-proline

CAS Number	58617-29-1
PubChem CID	688392
IUPAC Name	(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid
Molecular Formula	C10H15NO4
Molecular Weight	213.23
XLogP	1.1
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	303

SMILES

CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)O

InChI

InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)/t7-/m1/s1

InChIKey

BMIGSRMSSCUMAZ-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 58617-29-1

CID: 688392

Formula: C10H15NO4

MW: 213.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.23
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	213.10010796
Monoisotopic Mass	213.10010796
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR925492-01	Fmoc-3,4-dehydro-L-proline
OR307074-01	N-Boc-D-proline
OR1007163-01	(4S) -1-Boc-4-amino-D-proline
OR316060	N-t-BOC-4-Methylene-D-Proline
OR307071-01	N-Boc-trans-4-hydroxy-D-proline
OR307073-01	N-Boc-cis-4-hydroxy-D-proline
OR75171-01	1-Boc-2-methyl-D-proline
PC904623-01	Boc- (4R) -4- (4-trifluoromethylbenzyl) -L-proline
PC409001-01	N-BOC-4,4-Difluoro-L-proline
PC108896	Boc- (S) -Alpha- (4-Fluorobenzyl) -Proline

Catalog	Name
ICA61729-01	Boc-3,4-dehydro-D-proline
264633-01	Boc-3,4-dehydro-L-proline
265237-01	Boc-3,4-dehydro-D-Valine
264838-01	Boc-3,4-dehydro-L-proline methyl ester
235941-01	Boc-3,4-dehydro-L-proline 98+% (HPLC)
235942-01	Boc-3,4-dehydro-L-proline methyl ester 99+%
FD49027	3,4-Dehydro-DL-proline
MBS3847902-01	3,4-Dehydro-L-proline
236043-01	Boc-4,4-Difluoro-D-proline
BOC210-01	BOC-D-Proline