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876149-42-7 | tert-Butyl 3-((((benzyloxy)carbonyl)amino)methyl)azetidine-1-carboxylate
CAS No: 876149-42-7 Catalog No: AG004I2L MDL No:MFCD08704518
Product Description
Catalog Number:
AG004I2L
Chemical Name:
tert-Butyl 3-((((benzyloxy)carbonyl)amino)methyl)azetidine-1-carboxylate
CAS Number:
876149-42-7
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD08704518
IUPAC Name:
tert-butyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-14(11-19)9-18-15(20)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)
InChI Key:
XSAOENDFFVJNFA-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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