Home Carbonyls (S)-2-((tert-Butoxycarbonyl)amino)-2-(m-tolyl)acetic acid

(S)-2-((tert-Butoxycarbonyl)amino)-2-(m-tolyl)acetic acid

CAS No.:
1217677-36-5
Catalog Number:
AG01EN68
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
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Product Description
Catalog Number:
AG01EN68
Chemical Name:
(S)-2-((tert-Butoxycarbonyl)amino)-2-(m-tolyl)acetic acid
CAS Number:
1217677-36-5
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD01632531
IUPAC Name:
(2S)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C14H19NO4/c1-9-6-5-7-10(8-9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
KLVVTGRHRBWUAO-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](c1cccc(c1)C)C(=O)O
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties