4-nitrophenyl 2-[(tert-butoxycarbonyl)amino]-4-carbamoylbutanoate

4-nitrophenyl 2-[(tert-butoxycarbonyl)amino]-4-carbamoylbutanoate

CAS: 15387-45-8

Formula: C16H21N3O7

SMILES: CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 4-nitrophenyl 2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoate

InChI: InChI=1/C16H21N3O7/c1-16(2,3)26-15(22)18-12(8-9-13(17)20)14(21)25-11-6-4-10(5-7-11)19(23)24/h4-7,12H,8-9H2,1-3H3,(H2,17,20)(H,18,22)

Composition: C (52.31%), H (5.76%), N (11.44%), O (30.49%)

Molar Mass: 367.358

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	367.137950028
Formal Charge	0
FSP3	0.44
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HJMMCTZLXOVMFB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.85
Topological Polar Surface Area	150.86
Polarizability	34.65
Ring Count	1
Rotatable Bond Count	10

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