Home Carboxys 3-((tert-Butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid

3-((tert-Butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid

CAS No.:
869786-49-2
Catalog Number:
AG003I6S
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
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Product Description
Catalog Number:
AG003I6S
Chemical Name:
3-((tert-Butoxycarbonyl)amino)pyrrolidine-3-carboxylic acid
CAS Number:
869786-49-2
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
MDL Number:
MFCD04115498
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-10(7(13)14)4-5-11-6-10/h11H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
YYLURLWWCZBOQG-UHFFFAOYSA-N
SMILES:
O=C(NC1(CNCC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  
Properties