CCCCCCCC(=O)N(C)CCC(=O)O
CAS: 230309-46-3
الاسم: 3-[methyl(octanoyl)amino]propanoic acid
SMILES: CCCCCCCC(=O)N(C)CCC(=O)O

Molecular Processing

Molecular formula
C12H23NO3
Molecular weight
229.32
Exact mass
229.1678
XLogP
2.28
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
63.27

Supplementary Information

InChIKey: HWPNWXDAANIMBZ-UHFFFAOYSA-N
مرادفات
Capryloyl methyl beta-alanineUNII-NFN77VEY3DNFN77VEY3D230309-46-3beta-Alanine, N-methyl-P-(1-oxooctyl)-DTXSID80177587CAPRYLOYL METHYL .BETA.-ALANINE.BETA.-ALANINE, N-METHYL-N-(1-OXOOCTYL)-RefChem:123309DTXCID40100078BETA-ALANINE, N-METHYL-N-(1-OXOOCTYL)-N-Methyl-N-octanoyl-beta-alanineSCHEMBL5969861N-octanoyl-N-methyl-beta-alanineHWPNWXDAANIMBZ-UHFFFAOYSA-NQ27284847
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