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1004621-13-9 | Carbamic acid, N-[(3R)-1-(5-amino-2-pyridinyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS No: 1004621-13-9 Catalog No: AG00021Z MDL No:
Product Description
Catalog Number:
AG00021Z
Chemical Name:
Carbamic acid, N-[(3R)-1-(5-amino-2-pyridinyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1004621-13-9
Molecular Formula:
C14H22N4O2
Molecular Weight:
278.3501
IUPAC Name:
tert-butyl N-[(3R)-1-(5-aminopyridin-2-yl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-6-7-18(9-11)12-5-4-10(15)8-16-12/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,17,19)/t11-/m1/s1
InChI Key:
VVXNHLWYLJDILD-LLVKDONJSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CCN(C1)c1ccc(cn1)N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.356g/mol
Monoisotopic Mass:
278.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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