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2171731-99-8 | 2-{[(tert-butoxy)carbonyl]amino}-2-{spiro[3.3]heptan-2-yl}acetic acid
CAS No: 2171731-99-8 Catalog No: AG01FJ31 MDL No:
Product Description
Catalog Number:
AG01FJ31
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-{spiro[3.3]heptan-2-yl}acetic acid
CAS Number:
2171731-99-8
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid
InChI:
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10(11(16)17)9-7-14(8-9)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
FICMJTKJQCTTIZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CC2(C1)CCC2)NC(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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