ethyl 2-amino-3-anthracen-9-ylpropanoate

C19H19NO2 — CID 170884626

IUPACethyl 2-amino-3-anthracen-9-ylpropanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)18(20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,2,12,20H2,1H3
InChIKeyTWNBNICCZSLSJS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds4

About ethyl 2-amino-3-anthracen-9-ylpropanoate

ethyl 2-amino-3-anthracen-9-ylpropanoate (PubChem CID 170884626) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 2-amino-3-anthracen-9-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-anthracen-9-ylpropanoate
PubChem CID170884626
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-amino-3-anthracen-9-ylpropanoate
SMILESCCOC(=O)C(N)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)18(20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,2,12,20H2,1H3
InChIKeyTWNBNICCZSLSJS-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097
ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
CID 170885096
ethyl 2-amino-3-(2-methylacridin-9-yl)propanoate
CID 170885105
ethyl (3S)-3-amino-3-anthracen-9-yl-2-fluoropropanoate
CID 171245373
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755
ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
ethyl 2-amino-3-(2-chloro-1-methylindol-3-yl)propanoate
CID 170884911
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
CID 171197606
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-anthracen-9-ylpropanoate?
The IUPAC name of ethyl 2-amino-3-anthracen-9-ylpropanoate (CID 170884626) is ethyl 2-amino-3-anthracen-9-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-anthracen-9-ylpropanoate?
The canonical SMILES for ethyl 2-amino-3-anthracen-9-ylpropanoate is CCOC(=O)C(N)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of ethyl 2-amino-3-anthracen-9-ylpropanoate?
The InChIKey is TWNBNICCZSLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-22-19(21)18(20)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11,18H,2,12,20H2,1H3.
What are the key properties of ethyl 2-amino-3-anthracen-9-ylpropanoate?
ethyl 2-amino-3-anthracen-9-ylpropanoate has a molecular weight of 293.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-anthracen-9-ylpropanoate is sourced from PubChem (CID 170884626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).