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Home Other Building Blocks 2-[2-(adamantan-1-yl)acetamido]acetic acid

2-[2-(adamantan-1-yl)acetamido]acetic acid

CAS No.:
237400-99-6
Catalog Number:
AG019IW9
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
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Product Description
Catalog Number:
AG019IW9
Chemical Name:
2-[2-(adamantan-1-yl)acetamido]acetic acid
CAS Number:
237400-99-6
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD04213423
IUPAC Name:
2-[[2-(1-adamantyl)acetyl]amino]acetic acid
InChI:
InChI=1S/C14H21NO3/c16-12(15-8-13(17)18)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h9-11H,1-8H2,(H,15,16)(H,17,18)
InChI Key:
YGGZZKSHIOWKII-UHFFFAOYSA-N
SMILES:
O=C(CC12CC3CC(C2)CC(C1)C3)NCC(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties