2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid

C14H22N2O3 — CID 79157379

IUPAC2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)c(CNCC(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-15-8-12-13(6-5-10(3)16-12)19-11(4)14(17)18/h5-6,9,11,15H,7-8H2,1-4H3,(H,17,18)
InChIKeyHWXIKCLIVRXBIQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.99
Rot. Bonds7

About 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid

2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid (PubChem CID 79157379) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
PubChem CID79157379
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
SMILESCc1ccc(OC(C)C(=O)O)c(CNCC(C)C)n1
InChIInChI=1S/C14H22N2O3/c1-9(2)7-15-8-12-13(6-5-10(3)16-12)19-11(4)14(17)18/h5-6,9,11,15H,7-8H2,1-4H3,(H,17,18)
InChIKeyHWXIKCLIVRXBIQ-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
N-[[3-(methoxymethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156612
N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
N-[[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79159102
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79157524

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid (CID 79157379) is 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid is Cc1ccc(OC(C)C(=O)O)c(CNCC(C)C)n1.
What is the InChIKey of 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid?
The InChIKey is HWXIKCLIVRXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)7-15-8-12-13(6-5-10(3)16-12)19-11(4)14(17)18/h5-6,9,11,15H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid?
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 79157379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).