Home Other Building Blocks (3S)-5-methyl-3-({[(2S)-pyrrolidin-2-yl]formamido}methyl)hexanoic acid

(3S)-5-methyl-3-({[(2S)-pyrrolidin-2-yl]formamido}methyl)hexanoic acid

CAS No.:
1909294-61-6
Catalog Number:
AG01C2D5
Molecular Formula:
C13H24N2O3
Molecular Weight:
256.3413
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Product Description
Catalog Number:
AG01C2D5
Chemical Name:
(3S)-5-methyl-3-({[(2S)-pyrrolidin-2-yl]formamido}methyl)hexanoic acid
CAS Number:
1909294-61-6
Molecular Formula:
C13H24N2O3
Molecular Weight:
256.3413
MDL Number:
MFCD21535216
IUPAC Name:
(3S)-5-methyl-3-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]hexanoic acid
InChI:
InChI=1S/C13H24N2O3/c1-9(2)6-10(7-12(16)17)8-15-13(18)11-4-3-5-14-11/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChI Key:
HMRIDAZKHBURCB-QWRGUYRKSA-N
SMILES:
CC(C[C@@H](CC(=O)O)CNC(=O)[C@@H]1CCCN1)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
256.179g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
256.346g/mol
Monoisotopic Mass:
256.179g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties