Home Carboxys 1-Pyrrolidineaceticacid,2-carboxy-(8CI,9CI)

1-Pyrrolidineaceticacid,2-carboxy-(8CI,9CI)

CAS No.:
5626-40-4
Catalog Number:
AG00E166
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
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Product Description
Catalog Number:
AG00E166
Chemical Name:
1-Pyrrolidineaceticacid,2-carboxy-(8CI,9CI)
CAS Number:
5626-40-4
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
MDL Number:
MFCD18811200
IUPAC Name:
1-(carboxymethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C7H11NO4/c9-6(10)4-8-3-1-2-5(8)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChI Key:
ZCIXWIPMALYWJT-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCC1C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  
Properties