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885276-25-5 | 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(thiophen-2-yl)acetic acid
CAS No: 885276-25-5 Catalog No: AG0045G8 MDL No:MFCD04115180
Product Description
Catalog Number:
AG0045G8
Chemical Name:
2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(thiophen-2-yl)acetic acid
CAS Number:
885276-25-5
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
MDL Number:
MFCD04115180
IUPAC Name:
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)16-10-6-7-17(9-10)12(13(18)19)11-5-4-8-22-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)
InChI Key:
KMWOJTOWILHWJA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(C1)C(c1cccs1)C(=O)O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.411g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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