(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid

C15H24N2O2 — CID 122044749

IUPAC(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid
SMILESCCCC[C@H](NCCCc1cnccc1C)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-3-4-7-14(15(18)19)17-9-5-6-13-11-16-10-8-12(13)2/h8,10-11,14,17H,3-7,9H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWYBMOKQVNWNJJX-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.56
Rot. Bonds9

About (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid

(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid (PubChem CID 122044749) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid
PubChem CID122044749
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid
SMILESCCCC[C@H](NCCCc1cnccc1C)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-3-4-7-14(15(18)19)17-9-5-6-13-11-16-10-8-12(13)2/h8,10-11,14,17H,3-7,9H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWYBMOKQVNWNJJX-AWEZNQCLSA-N
XLogP2.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
2-(dodecylamino)hexanoic acid
CID 139637216
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
2-(pentylamino)octanoic acid
CID 129188286
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
4-methylsulfanyl-2-(3-pyridin-3-ylpropylamino)butanoic acid
CID 145044121
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(6-methylheptylamino)hexanoic acid
CID 150739984
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid?
The IUPAC name of (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid (CID 122044749) is (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid is CCCC[C@H](NCCCc1cnccc1C)C(=O)O.
What is the InChIKey of (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid?
The InChIKey is WYBMOKQVNWNJJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-7-14(15(18)19)17-9-5-6-13-11-16-10-8-12(13)2/h8,10-11,14,17H,3-7,9H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid?
(2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-methyl-3-pyridinyl)propylamino]hexanoic acid is sourced from PubChem (CID 122044749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).