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1374669-66-5 | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-dimethyl-, (3R)-
CAS No: 1374669-66-5 Catalog No: AG0013BB MDL No:MFCD22377989
Product Description
Catalog Number:
AG0013BB
Chemical Name:
Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-dimethyl-, (3R)-
CAS Number:
1374669-66-5
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD22377989
IUPAC Name:
(3R)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)8(7-9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChI Key:
GJOMHEYOQWPVEZ-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)CC(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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