CAS: 1034708-26-3
名称: 1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
SMILES:
CC(C)(C)OC(=O)N1CCCCCC1C(=O)OMolecular Processing
Molecular formula
C12H21NO4
Molecular weight
243.3
Exact mass
243.1471
XLogP
2.25
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
62.83
Supplementary Information
InChIKey: BKMVFOKQLCHCPK-UHFFFAOYSA-N
同義語
1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid1-((tert-butoxy)carbonyl)azepane-2-carboxylic acidRefChem:419111851-789-01034708-26-31-(tert-butoxycarbonyl)azepane-2-carboxylic acidAzepane-1,2-dicarboxylic acid 1-tert-butyl ester1-Boc-azepane-2-carboxylic acidMFCD037909791-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic Acid1-(tert-Butoxycarbonyl)azepane-2-carboxylicacidSCHEMBL222955DTXSID40391121BKMVFOKQLCHCPK-UHFFFAOYSA-NJRB708261-(Boc)-azepane-2-carboxylic acidAKOS005264193SB30303AS-36871SY185452DB-059005CS-00765401-tert-butoxycarbonylazepane-2-carboxylic acidEN300-82399A43051F037060F8887-2931Z1238485111perhydro-azepine-1,2-dicarboxylic acid 1-tert-butyl ester1H-Azepine-1,2-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl)ester, (2S)-
2 件の反応に参加→