Home Carboxys 1-Butyrylpiperidine-3-carboxylic acid

1-Butyrylpiperidine-3-carboxylic acid

CAS No.:
1017213-97-6
Catalog Number:
AG00H9K7
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
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Product Description
Catalog Number:
AG00H9K7
Chemical Name:
1-Butyrylpiperidine-3-carboxylic acid
CAS Number:
1017213-97-6
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD09813958
IUPAC Name:
1-butanoylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-2-4-9(12)11-6-3-5-8(7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChI Key:
PCAOWXFECSLJQA-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CCCC(C1)C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties