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2-[(tert-butoxycarbonyl)amino]-3-(1,3-thiazol-4-yl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(1,3-thiazol-4-yl)propanoic acid

CAS: 119378-93-7

Formula: C11H16N2O4S

SMILES: CC(C)(C)OC(=O)NC(CC1=CSC=N1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid

InChI: InChI=1/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)

Composition: C (48.52%), H (5.92%), N (10.29%), O (23.50%), S (11.77%)

Molar Mass: 272.32

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 272.083078177
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RVXBTZJECMMZSB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.62
Topological Polar Surface Area 88.52
Polarizability 25.41
Ring Count 1
Rotatable Bond Count 6

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