(2S)-4-amino-2-[(tert-butoxycarbonyl)amino]butanoic acid

(2S)-4-amino-2-[(tert-butoxycarbonyl)amino]butanoic acid

CAS: 25691-37-6

Formula: C9H18N2O4

SMILES: CC(C)(C)OC(=O)N[C@@H](CCN)C(O)=O

IUPAC: (2S)-4-amino-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1

Composition: C (49.53%), H (8.31%), N (12.84%), O (29.32%)

Molar Mass: 218.253

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	218.126657068
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MDCPCLPRWLKUIQ-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.44
Topological Polar Surface Area	101.65
Polarizability	21.34
Ring Count	0
Rotatable Bond Count	6

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