methyl 5-[(tert-butoxycarbonyl)amino]-3-oxopentanoate

methyl 5-[(tert-butoxycarbonyl)amino]-3-oxopentanoate

CAS: 141734-32-9

Formula: C11H19NO5

SMILES: COC(=O)CC(=O)CCNC(=O)OC(C)(C)C

IUPAC: methyl 5-{[(tert-butoxy)carbonyl]amino}-3-oxopentanoate

InChI: InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-5-8(13)7-9(14)16-4/h5-7H2,1-4H3,(H,12,15)

Composition: C (53.87%), H (7.81%), N (5.71%), O (32.61%)

Molar Mass: 245.275

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	245.126322716
Formal Charge	0
FSP3	0.73
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VVNVQQGRRYDFEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.24
Topological Polar Surface Area	81.7
Polarizability	23.84
Ring Count	0
Rotatable Bond Count	8

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