3-[2-(acridin-9-ylamino)ethylamino]propanoic acid

C18H19N3O2 — CID 71513367

IUPAC3-[2-(acridin-9-ylamino)ethylamino]propanoic acid
SMILESO=C(O)CCNCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H19N3O2/c22-17(23)9-10-19-11-12-20-18-13-5-1-3-7-15(13)21-16-8-4-2-6-14(16)18/h1-8,19H,9-12H2,(H,20,21)(H,22,23)
InChIKeyDWGASWWJWGFGPA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds7

About 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid

3-[2-(acridin-9-ylamino)ethylamino]propanoic acid (PubChem CID 71513367) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(acridin-9-ylamino)ethylamino]propanoic acid
PubChem CID71513367
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[2-(acridin-9-ylamino)ethylamino]propanoic acid
SMILESO=C(O)CCNCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H19N3O2/c22-17(23)9-10-19-11-12-20-18-13-5-1-3-7-15(13)21-16-8-4-2-6-14(16)18/h1-8,19H,9-12H2,(H,20,21)(H,22,23)
InChIKeyDWGASWWJWGFGPA-UHFFFAOYSA-N
XLogP2.86
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropylamino)butylamino]propyl 5-(acridin-9-ylamino)pentanoate
CID 10345062
N,N'-di(acridin-9-yl)hexadecane-1,16-diamine;dihydrochloride
CID 131881606
2-[[2-[2-(acridin-9-ylamino)ethylamino]-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
CID 10207760
3-[(2-phenyl-3-pyridin-4-ylquinolin-4-yl)amino]propanoic acid
CID 139651637
4-[(1-nitroacridin-9-yl)amino]butanoic acid
CID 14580025
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
N'-acridin-9-yl-N-benzylpropane-1,3-diamine
CID 175018670
N'-acridin-9-yl-N-(5-acridin-9-ylpentyl)propane-1,3-diamine
CID 58572013
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
N',N'-bis[5-(acridin-9-ylamino)pentyl]pentanediamide
CID 53437318
2-[2-chloroethyl(2-hydroxyethyl)amino]ethanol;3-[(2-methoxycarbonylacridin-9-yl)amino]propanoic acid
CID 159022933

Frequently Asked Questions

What is the IUPAC name of 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid (CID 71513367) is 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid is O=C(O)CCNCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid?
The InChIKey is DWGASWWJWGFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(23)9-10-19-11-12-20-18-13-5-1-3-7-15(13)21-16-8-4-2-6-14(16)18/h1-8,19H,9-12H2,(H,20,21)(H,22,23).
What are the key properties of 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid?
3-[2-(acridin-9-ylamino)ethylamino]propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(acridin-9-ylamino)ethylamino]propanoic acid is sourced from PubChem (CID 71513367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).