3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid

C18H20N2O4 — CID 124701897

IUPAC3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c21-16-10-14(13-5-1-2-6-15(13)19-16)18(24)20-9-3-4-12(11-20)7-8-17(22)23/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyYCXIKGFWSOKGQW-GFCCVEGCSA-N
MW328.37 g/mol
LogP2.25
Rot. Bonds4

About 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 124701897) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID124701897
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c21-16-10-14(13-5-1-2-6-15(13)19-16)18(24)20-9-3-4-12(11-20)7-8-17(22)23/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyYCXIKGFWSOKGQW-GFCCVEGCSA-N
XLogP2.25
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 95558519
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
4-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 42947512

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid (CID 124701897) is 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is YCXIKGFWSOKGQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-16-10-14(13-5-1-2-6-15(13)19-16)18(24)20-9-3-4-12(11-20)7-8-17(22)23/h1-2,5-6,10,12H,3-4,7-9,11H2,(H,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124701897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).