ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride

C19H20ClNO2 — CID 171197606

IUPACethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H19NO2.ClH/c1-2-22-18(21)12-17(20)19-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)19;/h3-11,17H,2,12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyKCOVIUCHLSKFJT-UNTBIKODSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds4

About ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride

ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride (PubChem CID 171197606) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
PubChem CID171197606
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Nameethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
SMILESCCOC(=O)C[C@@H](N)c1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C19H19NO2.ClH/c1-2-22-18(21)12-17(20)19-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)19;/h3-11,17H,2,12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyKCOVIUCHLSKFJT-UNTBIKODSA-N
XLogP4.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
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 (3S)-3-amino-3-anthracen-9-yl-2-fluoropropanoate
CID 171245373
ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
propyl 3-amino-3-naphthalen-1-ylpropanoate
CID 23109941

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride?
The IUPAC name of ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride (CID 171197606) is ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride.
What is the SMILES notation for ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride?
The canonical SMILES for ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride is CCOC(=O)C[C@@H](N)c1c2ccccc2cc2ccccc12.Cl.
What is the InChIKey of ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride?
The InChIKey is KCOVIUCHLSKFJT-UNTBIKODSA-N. The full InChI is InChI=1S/C19H19NO2.ClH/c1-2-22-18(21)12-17(20)19-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)19;/h3-11,17H,2,12,20H2,1H3;1H/t17-;/m1./s1.
What are the key properties of ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride?
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride is sourced from PubChem (CID 171197606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).