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1009335-43-6 | Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS No: 1009335-43-6 Catalog No: AG00038U MDL No:MFCD11042660
Product Description
Catalog Number:
AG00038U
Chemical Name:
Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1009335-43-6
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD11042660
IUPAC Name:
tert-butyl N-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChI Key:
DWYPGXBZFDWCPC-HTQZYQBOSA-N
SMILES:
OC[C@@H]1NC[C@@H](C1)NC(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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