2-amino-3-(9-oxoacridin-10-yl)propanoic acid

C16H14N2O3 — CID 65443403

IUPAC2-amino-3-(9-oxoacridin-10-yl)propanoic acid
SMILESNC(Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C16H14N2O3/c17-12(16(20)21)9-18-13-7-3-1-5-10(13)15(19)11-6-2-4-8-14(11)18/h1-8,12H,9,17H2,(H,20,21)
InChIKeyUEGCPCGYZPHUNF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-3-(9-oxoacridin-10-yl)propanoic acid

2-amino-3-(9-oxoacridin-10-yl)propanoic acid (PubChem CID 65443403) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-amino-3-(9-oxoacridin-10-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(9-oxoacridin-10-yl)propanoic acid
PubChem CID65443403
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-amino-3-(9-oxoacridin-10-yl)propanoic acid
SMILESNC(Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C16H14N2O3/c17-12(16(20)21)9-18-13-7-3-1-5-10(13)15(19)11-6-2-4-8-14(11)18/h1-8,12H,9,17H2,(H,20,21)
InChIKeyUEGCPCGYZPHUNF-UHFFFAOYSA-N
XLogP1.57
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(3-benzyl-2,4-dioxoquinazolin-1-yl)propanoic acid
CID 25130239
10-(2-methylpropyl)acridin-9-one
CID 59742563
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
2-amino-3-carbazol-9-ylpropan-1-ol
CID 64810076
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
CID 7337905
1-carbazol-9-ylpropan-2-amine
CID 21430322
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
bis[2-(9-oxoacridin-10-yl)ethyl] (E)-but-2-enedioate
CID 146937858
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(9-oxoacridin-10-yl)propanoic acid?
The IUPAC name of 2-amino-3-(9-oxoacridin-10-yl)propanoic acid (CID 65443403) is 2-amino-3-(9-oxoacridin-10-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(9-oxoacridin-10-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(9-oxoacridin-10-yl)propanoic acid is NC(Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-3-(9-oxoacridin-10-yl)propanoic acid?
The InChIKey is UEGCPCGYZPHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-12(16(20)21)9-18-13-7-3-1-5-10(13)15(19)11-6-2-4-8-14(11)18/h1-8,12H,9,17H2,(H,20,21).
What are the key properties of 2-amino-3-(9-oxoacridin-10-yl)propanoic acid?
2-amino-3-(9-oxoacridin-10-yl)propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(9-oxoacridin-10-yl)propanoic acid is sourced from PubChem (CID 65443403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).