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(2R)-2-[(tert-butoxycarbonyl)amino]-3-(pyrimidin-5-yl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(pyrimidin-5-yl)propanoic acid

CAS: 1354970-54-9

Formula: C12H17N3O4

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CN=CN=C1)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(pyrimidin-5-yl)propanoic acid

InChI: InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-9(10(16)17)4-8-5-13-7-14-6-8/h5-7,9H,4H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1

Composition: C (53.92%), H (6.41%), N (15.72%), O (23.94%)

Molar Mass: 267.285

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 267.121906039
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey DHLBWJUPHCVNME-SECBINFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.65
Topological Polar Surface Area 101.41
Polarizability 25.79
Ring Count 1
Rotatable Bond Count 6

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