Home Carboxys 1-Isobutyryl-2-piperidinecarboxylic acid

1-Isobutyryl-2-piperidinecarboxylic acid

CAS No.:
1103336-91-9
Catalog Number:
AG00HBPB
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
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Product Description
Catalog Number:
AG00HBPB
Chemical Name:
1-Isobutyryl-2-piperidinecarboxylic acid
CAS Number:
1103336-91-9
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD09048715
IUPAC Name:
1-(2-methylpropanoyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-7(2)9(12)11-6-4-3-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChI Key:
MQRWLGCCLNOSLL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1C(=O)C(C)C
Properties
Complexity:
238  
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:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties