3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid

C19H21FN2O3 — CID 124697534

IUPAC3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C19H21FN2O3/c1-12-16(10-13-5-6-14(20)11-17(13)21-12)19(25)22-9-3-2-4-15(22)7-8-18(23)24/h5-6,10-11,15H,2-4,7-9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyHFAIRAMCNAZVNZ-OAHLLOKOSA-N
MW344.39 g/mol
LogP3.54
Rot. Bonds4

About 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 124697534) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID124697534
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C19H21FN2O3/c1-12-16(10-13-5-6-14(20)11-17(13)21-12)19(25)22-9-3-2-4-15(22)7-8-18(23)24/h5-6,10-11,15H,2-4,7-9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyHFAIRAMCNAZVNZ-OAHLLOKOSA-N
XLogP3.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049
3-[1-(5-chloro-2-fluorobenzoyl)piperidin-2-yl]propanoic acid
CID 62217106
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 94643322
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
3-[(2R)-1-(4-fluoro-3-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 129369081
(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 96574367
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid (CID 124697534) is 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid is Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is HFAIRAMCNAZVNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-16(10-13-5-6-14(20)11-17(13)21-12)19(25)22-9-3-2-4-15(22)7-8-18(23)24/h5-6,10-11,15H,2-4,7-9H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124697534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).