(2R)-2-[(tert-butoxycarbonyl)amino]-3-(thiophen-2-yl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(thiophen-2-yl)propanoic acid

CAS: 78452-55-8

Formula: C12H17NO4S

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CS1)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid

InChI: InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1

Composition: C (53.12%), H (6.32%), N (5.16%), O (23.59%), S (11.82%)

Molar Mass: 271.33

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	271.087829205
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OJLISTAWQHSIHL-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.99
Topological Polar Surface Area	75.63
Polarizability	26.23
Ring Count	1
Rotatable Bond Count	6

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