Nombre: (6S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SMILES:
CC(C)(C)OC(=O)C1CCC2=NC=C(C(=O)N12)C(=O)OMolecular Processing
Molecular formula
C13H16N2O5
Molecular weight
280.28
Exact mass
280.1059
XLogP
0.77
TPSA
98.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
68.66
Supplementary Information
InChIKey: XKOUOAXYRSTSLN-QMMMGPOBSA-N
Sinónimos
SCHEMBL5902105XKOUOAXYRSTSLN-QMMMGPOBSA-N(S)-6-(tert-Butoxycarbonyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
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