Home Aminos (3S)-3-[(2-amino-3-methylbutanamido)methyl]-5-methylhexanoic acid

(3S)-3-[(2-amino-3-methylbutanamido)methyl]-5-methylhexanoic acid

CAS No.:
1788402-08-3
Catalog Number:
AG01AUVA
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
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Product Description
Catalog Number:
AG01AUVA
Chemical Name:
(3S)-3-[(2-amino-3-methylbutanamido)methyl]-5-methylhexanoic acid
CAS Number:
1788402-08-3
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
MDL Number:
MFCD21535209
IUPAC Name:
3-[[(2-amino-3-methylbutanoyl)amino]methyl]-5-methylhexanoic acid
InChI:
InChI=1S/C13H26N2O3/c1-8(2)5-10(6-11(16)17)7-15-13(18)12(14)9(3)4/h8-10,12H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)
InChI Key:
TWQINIJWWJMYFQ-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](CC(=O)O)CNC(=O)C(C(C)C)N)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties