3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid

C19H24N2O3 — CID 122037230

IUPAC3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
SMILESCc1cc(CN(C)CCC(=O)O)cc(C)c1OCc1ccccn1
InChIInChI=1S/C19H24N2O3/c1-14-10-16(12-21(3)9-7-18(22)23)11-15(2)19(14)24-13-17-6-4-5-8-20-17/h4-6,8,10-11H,7,9,12-13H2,1-3H3,(H,22,23)
InChIKeyXNGMZTBTTQRPFH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.18
Rot. Bonds8

About 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid

3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid (PubChem CID 122037230) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
PubChem CID122037230
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid
SMILESCc1cc(CN(C)CCC(=O)O)cc(C)c1OCc1ccccn1
InChIInChI=1S/C19H24N2O3/c1-14-10-16(12-21(3)9-7-18(22)23)11-15(2)19(14)24-13-17-6-4-5-8-20-17/h4-6,8,10-11H,7,9,12-13H2,1-3H3,(H,22,23)
InChIKeyXNGMZTBTTQRPFH-UHFFFAOYSA-N
XLogP3.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylcyclopropan-1-amine
CID 119122246
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
3-[(2,6-dimethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 166266155
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 62050830
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046
1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55684027
5-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]pentanenitrile
CID 119115265

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid?
The IUPAC name of 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid (CID 122037230) is 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid is Cc1cc(CN(C)CCC(=O)O)cc(C)c1OCc1ccccn1.
What is the InChIKey of 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid?
The InChIKey is XNGMZTBTTQRPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-10-16(12-21(3)9-7-18(22)23)11-15(2)19(14)24-13-17-6-4-5-8-20-17/h4-6,8,10-11H,7,9,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid?
3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl-methylamino]propanoic acid is sourced from PubChem (CID 122037230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).