2.0
2015-09-08 17:48:51 -0600
2015-09-08 17:48:51 -0600
ECMDB24060
M2MDB006177
4-Trimethylammoniobutanoic acid
4-Trimethylammoniobutanoate
C7H16NO2
146.2074
146.118103761
(3-carboxypropyl)trimethylazanium
4-trimethylaminobutyrate
C[N+](C)(C)CCCC(O)=O
InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
JHPNVNIEXXLNTR-UHFFFAOYSA-O
logp
-3.01
logs
-2.74
solubility
3.33e-01 g/l
logp
-4
pka_strongest_acidic
4.46
iupac
(3-carboxypropyl)trimethylazanium
average_mass
146.2074
mono_mass
146.118103761
smiles
C[N+](C)(C)CCCC(O)=O
formula
C7H16NO2
inchi
InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
inchikey
JHPNVNIEXXLNTR-UHFFFAOYSA-O
polar_surface_area
37.3
refractivity
51.44
polarizability
16.63
rotatable_bond_count
4
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
1
Specdb::CMs
11130
Specdb::CMs
37951
Specdb::MsMs
290545
Specdb::MsMs
290546
Specdb::MsMs
290547