2.0
2015-06-04 15:16:39 -0600
2015-08-14 15:21:23 -0600
ECMDB24000
M2MDB004304
Dihydrolipoylprotein
1-Methyl-2,4-imidazolidinedione
1-Methyl-hydantoin
1-Methyldiazolidine-2,4-dione
1-Methylhydantoin
Dioxy-creatinine
N-Methylimidazolidine-2,4-dione
C4H6N2O2
114.1026
114.042927446
1-methylimidazolidine-2,4-dione
1-methylhydantoin
CN1CC(=O)NC1=O
InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
RHYBFKMFHLPQPH-UHFFFAOYSA-N
logp
-1.20
logs
0.37
solubility
2.65e+02 g/l
logp
-1.2
pka_strongest_acidic
8.94
pka_strongest_basic
-8.5
iupac
1-methylimidazolidine-2,4-dione
average_mass
114.1026
mono_mass
114.042927446
smiles
CN1CC(=O)NC1=O
formula
C4H6N2O2
inchi
InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
inchikey
RHYBFKMFHLPQPH-UHFFFAOYSA-N
polar_surface_area
49.41
refractivity
25.94
polarizability
10.25
rotatable_bond_count
0
acceptor_count
2
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
1040
Specdb::CMs
1062
Specdb::CMs
23153
Specdb::CMs
29687
Specdb::CMs
31472
Specdb::CMs
31473
Specdb::CMs
31871
Specdb::CMs
31872
Specdb::CMs
157297
Specdb::NmrOneD
1981
Specdb::NmrOneD
28502
Specdb::NmrOneD
28503
Specdb::NmrOneD
28504
Specdb::NmrOneD
28505
Specdb::NmrOneD
28506
Specdb::NmrOneD
28507
Specdb::NmrOneD
28508
Specdb::NmrOneD
28509
Specdb::NmrOneD
28510
Specdb::NmrOneD
28511
Specdb::NmrOneD
28512
Specdb::NmrOneD
28513
Specdb::NmrOneD
28514
Specdb::NmrOneD
28515
Specdb::NmrOneD
28516
Specdb::NmrOneD
28517
Specdb::NmrOneD
28518
Specdb::NmrOneD
28519
Specdb::NmrOneD
28520
Specdb::NmrOneD
28521
Specdb::MsMs
6405
Specdb::MsMs
6406
Specdb::MsMs
6407
Specdb::MsMs
6408
Specdb::MsMs
6409
Specdb::MsMs
438080
Specdb::MsMs
438081
Specdb::MsMs
438082
Specdb::MsMs
438083
Specdb::MsMs
438084
Specdb::MsMs
2240451
Specdb::MsMs
2241241
Specdb::MsMs
2243360
Specdb::MsMs
17582
Specdb::MsMs
17583
Specdb::MsMs
17584
Specdb::MsMs
2664457
Specdb::MsMs
2664458
Specdb::MsMs
2664459
Specdb::MsMs
10910
Specdb::MsMs
10911
Specdb::MsMs
10912
Specdb::MsMs
3017820
Specdb::MsMs
3017821
Specdb::MsMs
3017822
Specdb::NmrTwoD
1916
C02972
Dihydrolipoyl dehydrogenase
P0A9P0
DLDH_ECOLI
lpdA
http://ecmdb.ca/proteins/P0A9P0.xml
Aminomethyltransferase
P27248
GCST_ECOLI
gcvT
http://ecmdb.ca/proteins/P27248.xml