Home Carboxys Rel-(1s,2r)-2-([(tert-butoxy)carbonyl]amino)cyclopropane-1-carboxylic acid

Rel-(1s,2r)-2-([(tert-butoxy)carbonyl]amino)cyclopropane-1-carboxylic acid

CAS No.:
1810070-30-4
Catalog Number:
AG00IM2J
Molecular Formula:
C18H30N2O8
Molecular Weight:
402.4394
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Product Description
Catalog Number:
AG00IM2J
Chemical Name:
Rel-(1s,2r)-2-([(tert-butoxy)carbonyl]amino)cyclopropane-1-carboxylic acid
CAS Number:
1810070-30-4
Molecular Formula:
C18H30N2O8
Molecular Weight:
402.4394
MDL Number:
MFCD28501610
IUPAC Name:
(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1
InChI Key:
NOZMNADEEKQWGO-RITPCOANSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1C[C@H]1C(=O)O.O=C(OC(C)(C)C)N[C@@H]1C[C@@H]1C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties