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1219960-66-3 | Alanine, N-(cyclobutylcarbonyl)-2-methyl-
CAS No: 1219960-66-3 Catalog No: AG0016II MDL No:MFCD13559827
Product Description
Catalog Number:
AG0016II
Chemical Name:
Alanine, N-(cyclobutylcarbonyl)-2-methyl-
CAS Number:
1219960-66-3
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD13559827
IUPAC Name:
2-(cyclobutanecarbonylamino)-2-methylpropanoic acid
InChI:
InChI=1S/C9H15NO3/c1-9(2,8(12)13)10-7(11)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChI Key:
CWSSMKIHNJENMC-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)NC(C(=O)O)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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