3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid

C15H21N3O3 — CID 114326388

IUPAC3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESNCc1cc(C(=O)N2CCCC(CCC(=O)O)C2)ccn1
InChIInChI=1S/C15H21N3O3/c16-9-13-8-12(5-6-17-13)15(21)18-7-1-2-11(10-18)3-4-14(19)20/h5-6,8,11H,1-4,7,9-10,16H2,(H,19,20)
InChIKeyPBARUMLZJRSDLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.26
Rot. Bonds5

About 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid

3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid (PubChem CID 114326388) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
PubChem CID114326388
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESNCc1cc(C(=O)N2CCCC(CCC(=O)O)C2)ccn1
InChIInChI=1S/C15H21N3O3/c16-9-13-8-12(5-6-17-13)15(21)18-7-1-2-11(10-18)3-4-14(19)20/h5-6,8,11H,1-4,7,9-10,16H2,(H,19,20)
InChIKeyPBARUMLZJRSDLO-UHFFFAOYSA-N
XLogP1.26
TPSA96.52 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
[2-(aminomethyl)-4-pyridinyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220475
3-[1-(3-chloro-4-iodobenzoyl)piperidin-3-yl]propanoic acid
CID 103219048
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid (CID 114326388) is 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid is NCc1cc(C(=O)N2CCCC(CCC(=O)O)C2)ccn1.
What is the InChIKey of 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is PBARUMLZJRSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-9-13-8-12(5-6-17-13)15(21)18-7-1-2-11(10-18)3-4-14(19)20/h5-6,8,11H,1-4,7,9-10,16H2,(H,19,20).
What are the key properties of 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid?
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 114326388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).