3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid

C19H22N2O5 — CID 120531886

IUPAC3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)Cc1cccc(OCc2cccnc2)c1)C(=O)O
InChIInChI=1S/C19H22N2O5/c1-19(13-25-2,18(23)24)21-17(22)10-14-5-3-7-16(9-14)26-12-15-6-4-8-20-11-15/h3-9,11H,10,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIPQAMXHUAWLDJA-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.81
Rot. Bonds9

About 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid

3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid (PubChem CID 120531886) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
PubChem CID120531886
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
SMILESCOCC(C)(NC(=O)Cc1cccc(OCc2cccnc2)c1)C(=O)O
InChIInChI=1S/C19H22N2O5/c1-19(13-25-2,18(23)24)21-17(22)10-14-5-3-7-16(9-14)26-12-15-6-4-8-20-11-15/h3-9,11H,10,12-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIPQAMXHUAWLDJA-UHFFFAOYSA-N
XLogP1.81
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526650
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
CID 120518519
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
[3-(pyridin-3-ylmethoxy)phenyl] benzoate
CID 11460927
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 166250133
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid (CID 120531886) is 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid is COCC(C)(NC(=O)Cc1cccc(OCc2cccnc2)c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid?
The InChIKey is IPQAMXHUAWLDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-19(13-25-2,18(23)24)21-17(22)10-14-5-3-7-16(9-14)26-12-15-6-4-8-20-11-15/h3-9,11H,10,12-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid?
3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid has a molecular weight of 358.39 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 120531886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).