7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid

C18H21N3O3 — CID 88778848

IUPAC7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3.C3H6O3/c1-2-9-3-6-13-12(7-9)15(17)11-5-4-10(16)8-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)
InChIKeyOAYBUJOPOUBJLY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds2

About 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid

7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid (PubChem CID 88778848) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid.

Molecular Properties

Compound Name7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid
PubChem CID88778848
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCc1ccc2nc3cc(N)ccc3c(N)c2c1
InChIInChI=1S/C15H15N3.C3H6O3/c1-2-9-3-6-13-12(7-9)15(17)11-5-4-10(16)8-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6)
InChIKeyOAYBUJOPOUBJLY-UHFFFAOYSA-N
XLogP2.57
TPSA122.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid?
The IUPAC name of 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid (CID 88778848) is 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid.
What is the SMILES notation for 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid?
The canonical SMILES for 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid is CC(O)C(=O)O.CCc1ccc2nc3cc(N)ccc3c(N)c2c1.
What is the InChIKey of 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid?
The InChIKey is OAYBUJOPOUBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.C3H6O3/c1-2-9-3-6-13-12(7-9)15(17)11-5-4-10(16)8-14(11)18-13;1-2(4)3(5)6/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6).
What are the key properties of 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid?
7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylacridine-3,9-diamine;2-hydroxypropanoic acid is sourced from PubChem (CID 88778848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).