Home Other Building Blocks (3S)-5-methyl-3-({[(3RS,4RS)-4-methylpyrrolidin-3-yl]formamido}methyl)hexanoic acid

(3S)-5-methyl-3-({[(3RS,4RS)-4-methylpyrrolidin-3-yl]formamido}methyl)hexanoic acid

CAS No.:
1909293-59-9
Catalog Number:
AG01C2TG
Molecular Formula:
C14H26N2O3
Molecular Weight:
270.3678
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Product Description
Catalog Number:
AG01C2TG
Chemical Name:
(3S)-5-methyl-3-({[(3RS,4RS)-4-methylpyrrolidin-3-yl]formamido}methyl)hexanoic acid
CAS Number:
1909293-59-9
Molecular Formula:
C14H26N2O3
Molecular Weight:
270.3678
MDL Number:
MFCD29055126
IUPAC Name:
5-methyl-3-[[(4-methylpyrrolidine-3-carbonyl)amino]methyl]hexanoic acid
InChI:
InChI=1S/C14H26N2O3/c1-9(2)4-11(5-13(17)18)7-16-14(19)12-8-15-6-10(12)3/h9-12,15H,4-8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
CRKZNIRNWJFKKF-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](CC(=O)O)CNC(=O)[C@@H]1CNC[C@H]1C)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.194g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
270.373g/mol
Monoisotopic Mass:
270.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties