Home Carboxys 5-(Methoxycarbonyl)piperidine-3-carboxylic acid

5-(Methoxycarbonyl)piperidine-3-carboxylic acid

CAS No.:
748113-39-5
Catalog Number:
AG00GHLH
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
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Product Description
Catalog Number:
AG00GHLH
Chemical Name:
5-(Methoxycarbonyl)piperidine-3-carboxylic acid
CAS Number:
748113-39-5
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD12026400
IUPAC Name:
5-methoxycarbonylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-13-8(12)6-2-5(7(10)11)3-9-4-6/h5-6,9H,2-4H2,1H3,(H,10,11)
InChI Key:
OGVLHCBDMWXAEL-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(CNC1)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3  
Properties