2-[(4-aminophenyl)formamido]-3-(tert-butoxy)-3-oxopropanoic acid

2-[(4-aminophenyl)formamido]-3-(tert-butoxy)-3-oxopropanoic acid

CAS: 854621-90-2

Formula: C14H18N2O5

SMILES: CC(C)(C)OC(=O)C(NC(=O)C1=CC=C(N)C=C1)C(O)=O

IUPAC: 2-[(4-aminophenyl)formamido]-3-(tert-butoxy)-3-oxopropanoic acid

InChI: InChI=1/C14H18N2O5/c1-14(2,3)21-13(20)10(12(18)19)16-11(17)8-4-6-9(15)7-5-8/h4-7,10H,15H2,1-3H3,(H,16,17)(H,18,19)

Composition: C (57.14%), H (6.16%), N (9.52%), O (27.18%)

Molar Mass: 294.307

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	294.121571688
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	NZTSZKLMNSLQGI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.37
Topological Polar Surface Area	118.72
Polarizability	28.57
Ring Count	1
Rotatable Bond Count	6

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