2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid

C19H19N3O4 — CID 82045378

IUPAC2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid
SMILESCOc1ccccc1OCc1nnc(NC(C)C(=O)O)c2ccccc12
InChIInChI=1S/C19H19N3O4/c1-12(19(23)24)20-18-14-8-4-3-7-13(14)15(21-22-18)11-26-17-10-6-5-9-16(17)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeySYOQMRDXKUNEQF-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.10
Rot. Bonds7

About 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid

2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid (PubChem CID 82045378) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid
PubChem CID82045378
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid
SMILESCOc1ccccc1OCc1nnc(NC(C)C(=O)O)c2ccccc12
InChIInChI=1S/C19H19N3O4/c1-12(19(23)24)20-18-14-8-4-3-7-13(14)15(21-22-18)11-26-17-10-6-5-9-16(17)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeySYOQMRDXKUNEQF-UHFFFAOYSA-N
XLogP3.10
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid
CID 151164721
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CID 746811
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
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CID 82571117
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
(2S)-2-(2-ethoxyanilino)propanoic acid
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2-(2-methoxyphenoxy)-N'-quinazolin-4-ylacetohydrazide
CID 21002383
(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122049877
2-[1-[(2-methoxyphenyl)methyl]isoquinolin-4-yl]propanoic acid
CID 67425908
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid?
The IUPAC name of 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid (CID 82045378) is 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid?
The canonical SMILES for 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid is COc1ccccc1OCc1nnc(NC(C)C(=O)O)c2ccccc12.
What is the InChIKey of 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid?
The InChIKey is SYOQMRDXKUNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(19(23)24)20-18-14-8-4-3-7-13(14)15(21-22-18)11-26-17-10-6-5-9-16(17)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid?
2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid has a molecular weight of 353.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid is sourced from PubChem (CID 82045378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).