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885271-17-0 | 3-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)propanoic acid
CAS No: 885271-17-0 Catalog No: AG00484P MDL No:MFCD08234795
Product Description
Catalog Number:
AG00484P
Chemical Name:
3-(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)propanoic acid
CAS Number:
885271-17-0
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD08234795
IUPAC Name:
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-6-9(8-13)4-5-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChI Key:
MBHLTXJJVQMUHJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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