ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate

C19H20N2O2 — CID 170885105

IUPACethyl 2-amino-3-(2-methylacridin-9-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2nc2ccc(C)cc12
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)16(20)11-14-13-6-4-5-7-17(13)21-18-9-8-12(2)10-15(14)18/h4-10,16H,3,11,20H2,1-2H3
InChIKeyHVBPJTPQTGNCPH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate

ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate (PubChem CID 170885105) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-methylacridin-9-yl)propanoate
PubChem CID170885105
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 2-amino-3-(2-methylacridin-9-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2nc2ccc(C)cc12
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)16(20)11-14-13-6-4-5-7-17(13)21-18-9-8-12(2)10-15(14)18/h4-10,16H,3,11,20H2,1-2H3
InChIKeyHVBPJTPQTGNCPH-UHFFFAOYSA-N
XLogP3.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate (CID 170885105) is ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate is CCOC(=O)C(N)Cc1c2ccccc2nc2ccc(C)cc12.
What is the InChIKey of ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate?
The InChIKey is HVBPJTPQTGNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-19(22)16(20)11-14-13-6-4-5-7-17(13)21-18-9-8-12(2)10-15(14)18/h4-10,16H,3,11,20H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate?
ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate has a molecular weight of 308.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate is sourced from PubChem (CID 170885105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).