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188918-39-0 | Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-, (1R,3S)-
CAS No: 188918-39-0 Catalog No: AG002HIX MDL No:MFCD23106169
Product Description
Catalog Number:
AG002HIX
Chemical Name:
Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-, (1R,3S)-
CAS Number:
188918-39-0
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD23106169
IUPAC Name:
(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,16)(H,14,15)/t7-,8-/m0/s1
InChI Key:
AOJXKOSBUVHAIA-YUMQZZPRSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1C[C@H](C1(C)C)C(=O)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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