Home Carboxys 3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-

3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-

CAS No.:
145602-87-5
Catalog Number:
AG001D8F
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
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Product Description
Catalog Number:
AG001D8F
Chemical Name:
3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-
CAS Number:
145602-87-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06410530
IUPAC Name:
3-amino-1-benzylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O2/c13-12(11(15)16)6-7-14(9-12)8-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
InChI Key:
IXBOFOMZFVXPTF-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCN(C1)Cc1ccccc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  
Properties