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116430-86-5 | L-Prolinamide, D-alanyl-N-methyl- (9CI)
CAS No: 116430-86-5 Catalog No: AG000CH0 MDL No:
Product Description
Catalog Number:
AG000CH0
Chemical Name:
L-Prolinamide, D-alanyl-N-methyl- (9CI)
CAS Number:
116430-86-5
Molecular Formula:
C9H17N3O2
Molecular Weight:
199.2502
IUPAC Name:
1-(2-aminopropanoyl)-N-methylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C9H17N3O2/c1-6(10)9(14)12-5-3-4-7(12)8(13)11-2/h6-7H,3-5,10H2,1-2H3,(H,11,13)
InChI Key:
NIQSFBXODLISCO-UHFFFAOYSA-N
SMILES:
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.254g/mol
Monoisotopic Mass:
199.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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