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1312766-48-5 | Carbamic acid, N-[[(1R,3S)-3-aminocyclopentyl]methyl]-, phenylmethyl ester
CAS No: 1312766-48-5 Catalog No: AG000VU0 MDL No:
Product Description
Catalog Number:
AG000VU0
Chemical Name:
Carbamic acid, N-[[(1R,3S)-3-aminocyclopentyl]methyl]-, phenylmethyl ester
CAS Number:
1312766-48-5
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
benzyl N-[[(1S,3R)-3-aminocyclopentyl]methyl]carbamate
InChI:
InChI=1S/C14H20N2O2/c15-13-7-6-12(8-13)9-16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)/t12-,13+/m0/s1
InChI Key:
AJRYNKKTFXWAET-QWHCGFSZSA-N
SMILES:
N[C@H]1CC[C@H](C1)CNC(=O)OCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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