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885276-52-8

885276-52-8 | 2-(3-((tert-Butoxycarbonyl)amino)piperidin-1-yl)-2-(naphthalen-2-yl)acetic acid

CAS No: 885276-52-8 Catalog No: AG0045G2 MDL No:MFCD04115189

Product Description

Catalog Number:
AG0045G2
Chemical Name:
2-(3-((tert-Butoxycarbonyl)amino)piperidin-1-yl)-2-(naphthalen-2-yl)acetic acid
CAS Number:
885276-52-8
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
MDL Number:
MFCD04115189
IUPAC Name:
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-naphthalen-2-ylacetic acid
InChI:
InChI=1S/C22H28N2O4/c1-22(2,3)28-21(27)23-18-9-6-12-24(14-18)19(20(25)26)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18-19H,6,9,12,14H2,1-3H3,(H,23,27)(H,25,26)
InChI Key:
NYKMXWYQTZZMKF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)C(c1ccc2c(c1)cccc2)C(=O)O

Properties

Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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