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1135916-70-9 | 3-Pyrrolidineacetic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 1135916-70-9 Catalog No: AG00092D MDL No:MFCD06410514
Product Description
Catalog Number:
AG00092D
Chemical Name:
3-Pyrrolidineacetic acid, α-amino-1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
1135916-70-9
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD06410514
IUPAC Name:
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-8(7-14)9(13)10(15)17-4/h8-9H,5-7,13H2,1-4H3
InChI Key:
IOYJGIAHVAQCPO-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCN(C1)C(=O)OC(C)(C)C)N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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