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876866-50-1 | 1-(Cyclopropanecarbonyl);piperidine-4-carboxylic acid
CAS No: 876866-50-1 Catalog No: AG004NSR MDL No:MFCD07838528
Product Description
Catalog Number:
AG004NSR
Chemical Name:
1-(Cyclopropanecarbonyl);piperidine-4-carboxylic acid
CAS Number:
876866-50-1
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD07838528
IUPAC Name:
1-(cyclopropanecarbonyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C10H15NO3/c12-9(7-1-2-7)11-5-3-8(4-6-11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChI Key:
CGVFHSAITNHPHR-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)N1CCC(CC1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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