2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid

C17H20N2O3 — CID 122036971

IUPAC2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid
SMILESCc1cc(CN(C)C(C)C(=O)O)ccc1Oc1cccnc1
InChIInChI=1S/C17H20N2O3/c1-12-9-14(11-19(3)13(2)17(20)21)6-7-16(12)22-15-5-4-8-18-10-15/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyHNBZTSUFPKIHMV-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.09
Rot. Bonds6

About 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid

2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid (PubChem CID 122036971) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid
PubChem CID122036971
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid
SMILESCc1cc(CN(C)C(C)C(=O)O)ccc1Oc1cccnc1
InChIInChI=1S/C17H20N2O3/c1-12-9-14(11-19(3)13(2)17(20)21)6-7-16(12)22-15-5-4-8-18-10-15/h4-10,13H,11H2,1-3H3,(H,20,21)
InChIKeyHNBZTSUFPKIHMV-UHFFFAOYSA-N
XLogP3.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid (CID 122036971) is 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid is Cc1cc(CN(C)C(C)C(=O)O)ccc1Oc1cccnc1.
What is the InChIKey of 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid?
The InChIKey is HNBZTSUFPKIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-9-14(11-19(3)13(2)17(20)21)6-7-16(12)22-15-5-4-8-18-10-15/h4-10,13H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid?
2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 122036971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).