CC(=O)O.CC(C)(C)OC(=O)C1CNC1
CAS: 1236144-52-7
Name: acetic acid;tert-butyl azetidine-3-carboxylate
SMILES: CC(=O)O.CC(C)(C)OC(=O)C1CNC1

Molecular Processing

Molecular formula
C10H19NO4
Molecular weight
217.26
Exact mass
217.1314
XLogP
0.64
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.8
Molar refractivity
55.51

Supplementary Information

InChIKey: ZAYKPGRYPKUMLW-UHFFFAOYSA-N
Synonyme
tert-Butyl azetidine-3-carboxylate acetate1236144-52-7TERT-BUTYL AZETIDINE-3-CARBOXYLATE HOACacetic acid;tert-butyl azetidine-3-carboxylateMFCD25541913ACETIC ACID; TERT-BUTYL AZETIDINE-3-CARBOXYLATESCHEMBL405308ZAYKPGRYPKUMLW-UHFFFAOYSA-NAKOS027338905SB50780tert-Butylazetidine-3-carboxylateacetateAS-36525CS-0183439tert-butyl azetidine-3-carboxylate acetic acidF330804tert-butyl azetidine-3-carboxylate acetic acid salt
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