methyl 3-amino-4-[(tert-butoxycarbonyl)amino]butanoate

methyl 3-amino-4-[(tert-butoxycarbonyl)amino]butanoate

CAS: 1391209-85-0

Formula: C10H20N2O4

SMILES: COC(=O)CC(N)CNC(=O)OC(C)(C)C

IUPAC: methyl 3-amino-4-{[(tert-butoxy)carbonyl]amino}butanoate

InChI: InChI=1/C10H20N2O4/c1-10(2,3)16-9(14)12-6-7(11)5-8(13)15-4/h7H,5-6,11H2,1-4H3,(H,12,14)

Composition: C (51.71%), H (8.68%), N (12.06%), O (27.55%)

Molar Mass: 232.28

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	232.142307132
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RFKXQNWLOYKCPI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.96
Topological Polar Surface Area	90.65
Polarizability	23.41
Ring Count	0
Rotatable Bond Count	7

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