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(2R)-2-[(tert-butoxycarbonyl)amino]butanedioic acid

(2R)-2-[(tert-butoxycarbonyl)amino]butanedioic acid

CAS: 62396-48-9

Formula: C9H15NO6

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}butanedioic acid

InChI: InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m1/s1

Composition: C (46.35%), H (6.48%), N (6.01%), O (41.16%)

Molar Mass: 233.22

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 233.089937207
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey KAJBMCZQVSQJDE-RXMQYKEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.41
Topological Polar Surface Area 112.93
Polarizability 20.51
Ring Count 0
Rotatable Bond Count 6

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