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1251570-77-0 | 1-Pyrrolidinecarboxylic acid, 3-(3-methyl-1-oxobutyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1251570-77-0 Catalog No: AG000N90 MDL No:MFCD19441509
Product Description
Catalog Number:
AG000N90
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(3-methyl-1-oxobutyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1251570-77-0
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
MDL Number:
MFCD19441509
IUPAC Name:
tert-butyl (3S)-3-(3-methylbutanoyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H25NO3/c1-10(2)8-12(16)11-6-7-15(9-11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3/t11-/m0/s1
InChI Key:
YTUUBUJBFUTVOQ-NSHDSACASA-N
SMILES:
CC(CC(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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