(3S)-3-[(tert-butoxycarbonyl)amino]-4-hydroxybutanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-4-hydroxybutanoic acid

CAS: 83345-44-2

Formula: C9H17NO5

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

IUPAC: (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoic acid

InChI: InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-6(5-11)4-7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1

Composition: C (49.31%), H (7.82%), N (6.39%), O (36.49%)

Molar Mass: 219.237

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	219.110672651
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	PRSIONPHFVWSKD-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.54
Topological Polar Surface Area	95.86
Polarizability	20.5
Ring Count	0
Rotatable Bond Count	6

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