(3S)-3-[(tert-butoxycarbonyl)amino]-3-carbamoylpropanoic acid

(3S)-3-[(tert-butoxycarbonyl)amino]-3-carbamoylpropanoic acid

CAS: 74244-17-0

Formula: C9H16N2O5

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

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

InChI: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m0/s1

Composition: C (46.55%), H (6.94%), N (12.06%), O (34.45%)

Molar Mass: 232.236

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	232.105921623
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	VKCARTLEXJLJBZ-YFKPBYRVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.23
Topological Polar Surface Area	118.72
Polarizability	21.14
Ring Count	0
Rotatable Bond Count	6

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