Home Carboxys 1-acetyl-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

1-acetyl-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

CAS No.:
1693923-54-4
Catalog Number:
AG01C4EO
Molecular Formula:
C12H20N2O5
Molecular Weight:
272.2976
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Product Description
Catalog Number:
AG01C4EO
Chemical Name:
1-acetyl-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid
CAS Number:
1693923-54-4
Molecular Formula:
C12H20N2O5
Molecular Weight:
272.2976
MDL Number:
MFCD30342630
IUPAC Name:
1-acetyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H20N2O5/c1-8(15)14-6-5-12(7-14,9(16)17)13-10(18)19-11(2,3)4/h5-7H2,1-4H3,(H,13,18)(H,16,17)
InChI Key:
ZFUDKZDXBQUVQH-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(C1)C(=O)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.301g/mol
Monoisotopic Mass:
272.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties