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100020-46-0 | L-Glutamic acid, N-[4-(2-propyn-1-ylamino)benzoyl]-
CAS No: 100020-46-0 Catalog No: AG0000B6 MDL No:
Product Description
Catalog Number:
AG0000B6
Chemical Name:
L-Glutamic acid, N-[4-(2-propyn-1-ylamino)benzoyl]-
CAS Number:
100020-46-0
Molecular Formula:
C15H16N2O5
Molecular Weight:
304.2979
IUPAC Name:
2-[[4-(prop-2-ynylamino)benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C15H16N2O5/c1-2-9-16-11-5-3-10(4-6-11)14(20)17-12(15(21)22)7-8-13(18)19/h1,3-6,12,16H,7-9H2,(H,17,20)(H,18,19)(H,21,22)
InChI Key:
XGHKIOZAWXBXBP-UHFFFAOYSA-N
SMILES:
C#CCNc1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.302g/mol
Monoisotopic Mass:
304.106g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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