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1353973-94-0 | [(1-Benzyl-pyrrolidin-3-ylmethyl)-amino]-acetic acid
CAS No: 1353973-94-0 Catalog No: AG01F8I4 MDL No:
Product Description
Catalog Number:
AG01F8I4
Chemical Name:
[(1-Benzyl-pyrrolidin-3-ylmethyl)-amino]-acetic acid
CAS Number:
1353973-94-0
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
2-[(1-benzylpyrrolidin-3-yl)methylamino]acetic acid
InChI:
InChI=1S/C14H20N2O2/c17-14(18)9-15-8-13-6-7-16(11-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,17,18)
InChI Key:
JWQSNSKVXDPBFK-UHFFFAOYSA-N
SMILES:
OC(=O)CNCC1CCN(C1)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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