2,4-bis(benzylamino)-4-oxobutanoic acid

CAS: 25800-55-9

Molecular Formula	`C18H20N2O3`
Molecular Weight	312.4 g/mol
LogP	-0.6
Topological Polar Surface Area	78.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	312.1474
Heavy Atoms	23
Complexity	374.0

Chemical Identifiers

CAS Number	25800-55-9
SMILES	`C1=CC=C(C=C1)CNC(CC(=O)NCC2=CC=CC=C2)C(=O)O`
InChIKey	`UTEIYYMJOOFGCY-UHFFFAOYSA-N`

📖 Product Overview

2,4-bis(benzylamino)-4-oxobutanoic acid (CAS: 25800-55-9) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.4 g/mol. Its IUPAC systematic name is 2,4-bis(benzylamino)-4-oxobutanoic acid. LogP -0.6 Topological Polar Surface Area 78.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 312.1474 Heavy Atoms 23 Complexity 374.0 InChI Key: UTEIYYMJOOFGCY-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CNC(CC(=O)NCC2=CC=CC=C2)C(=O)O.

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