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88908-14-9 | L-Alaninamide, L-alanyl-N-(1-carboxyethoxy)-, (S)-
CAS No: 88908-14-9 Catalog No: AG00496Z MDL No:
Product Description
Catalog Number:
AG00496Z
Chemical Name:
L-Alaninamide, L-alanyl-N-(1-carboxyethoxy)-, (S)-
CAS Number:
88908-14-9
Molecular Formula:
C9H17N3O5
Molecular Weight:
247.2484
IUPAC Name:
2-[2-(2-aminopropanoylamino)propanoylamino]oxypropanoic acid
InChI:
InChI=1S/C9H17N3O5/c1-4(10)7(13)11-5(2)8(14)12-17-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)
InChI Key:
YJGQVFFPHLSRII-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)NOC(C(=O)O)C)NC(=O)[C@@H](N)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.251g/mol
Monoisotopic Mass:
247.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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