Home Carboxys 1-[(tert-butoxy)carbonyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

CAS No.:
1955514-97-2
Catalog Number:
AG01C4D6
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
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Product Description
Catalog Number:
AG01C4D6
Chemical Name:
1-[(tert-butoxy)carbonyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CAS Number:
1955514-97-2
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD30180362
IUPAC Name:
2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-5-6-12(13,8-17-4)9(14)15/h5-8H2,1-4H3,(H,14,15)
InChI Key:
JUQSAOIBCDLVJJ-UHFFFAOYSA-N
SMILES:
COCC1(CCCN1C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties