(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid


Chemical Name: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid
CAS Number: 1172579-62-2
Product Number: AG000E00(AGN-PC-0WAMHF)
Synonyms:
MDL No: MFCD27952009
Molecular Formula: C22H25NO4
Molecular Weight: 367.4382

Identification/Properties


Computed Properties
Molecular Weight:
367.445g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
367.178g/mol
Monoisotopic Mass:
367.178g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
533
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The chemical structure of (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3,3-dimethylbutanoic acid (C22H25NO4) is as follows: ``` O || H3C-CH2-C-C-C(CH3)3 | | | N-C-C-C-CH2-COOH | | | H-C-C-C-C-C-C-OCH3 | | | H H-C | Ph ``` This structure represents a compound with a (S)-configuration consisting of a 9-fluorenylmethoxycarbonyl (Fmoc) protecting group attached to a methylamino group, linked to a 3,3-dimethylbutanoic acid moiety.