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179412-79-4 | Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (3S)-
CAS No: 179412-79-4 Catalog No: AG00270B MDL No:MFCD01076232
Product Description
Catalog Number:
AG00270B
Chemical Name:
Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (3S)-
CAS Number:
179412-79-4
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD01076232
IUPAC Name:
(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChI Key:
LUXMZCJCTUATDM-QMMMGPOBSA-N
SMILES:
CC([C@H](CC(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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