3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid

C15H21N3O3 — CID 126445582

IUPAC3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESCNc1ncccc1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C15H21N3O3/c1-16-14-12(6-4-9-17-14)15(21)18-10-3-2-5-11(18)7-8-13(19)20/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,16,17)(H,19,20)/t11-/m1/s1
InChIKeyOWONFDMVWZGEHQ-LLVKDONJSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds5

About 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 126445582) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID126445582
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESCNc1ncccc1C(=O)N1CCCC[C@@H]1CCC(=O)O
InChIInChI=1S/C15H21N3O3/c1-16-14-12(6-4-9-17-14)15(21)18-10-3-2-5-11(18)7-8-13(19)20/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,16,17)(H,19,20)/t11-/m1/s1
InChIKeyOWONFDMVWZGEHQ-LLVKDONJSA-N
XLogP1.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 84574317
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
3-[1-(6-fluoroquinoline-8-carbonyl)piperidin-2-yl]propanoic acid
CID 120536757
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[(2R)-1-(isoquinoline-1-carbonyl)piperidin-2-yl]propanoic acid
CID 125118170
3-[1-(3-bromopyridine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 120536755
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid (CID 126445582) is 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid is CNc1ncccc1C(=O)N1CCCC[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is OWONFDMVWZGEHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14-12(6-4-9-17-14)15(21)18-10-3-2-5-11(18)7-8-13(19)20/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,16,17)(H,19,20)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 126445582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).