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100234-58-0 | L-Glutamic acid, N-(3-amino-1-carboxy-3-oxopropyl)-, (S)- (9CI)
CAS No: 100234-58-0 Catalog No: AG0001BQ MDL No:
Product Description
Catalog Number:
AG0001BQ
Chemical Name:
L-Glutamic acid, N-(3-amino-1-carboxy-3-oxopropyl)-, (S)- (9CI)
CAS Number:
100234-58-0
Molecular Formula:
C9H14N2O7
Molecular Weight:
262.2167
IUPAC Name:
2-[(3-amino-1-carboxy-3-oxopropyl)amino]pentanedioic acid
InChI:
InChI=1S/C9H14N2O7/c10-6(12)3-5(9(17)18)11-4(8(15)16)1-2-7(13)14/h4-5,11H,1-3H2,(H2,10,12)(H,13,14)(H,15,16)(H,17,18)
InChI Key:
HULCBRRKIWCSOF-UHFFFAOYSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(C(=O)O)CC(=O)N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
262.218g/mol
Monoisotopic Mass:
262.08g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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