ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride

C15H20ClNO2 — CID 67782323

IUPACethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
SMILESCCOC(=O)C=Cc1ccc2c(c1)C[C@@H](N)CC2.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11;/h3-5,8-9,14H,2,6-7,10,16H2,1H3;1H/t14-;/m0./s1
InChIKeyWVYBVASNZWKVAX-UQKRIMTDSA-N
MW281.78 g/mol
LogP2.50
Rot. Bonds3

About ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride

ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride (PubChem CID 67782323) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
PubChem CID67782323
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
SMILESCCOC(=O)C=Cc1ccc2c(c1)C[C@@H](N)CC2.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11;/h3-5,8-9,14H,2,6-7,10,16H2,1H3;1H/t14-;/m0./s1
InChIKeyWVYBVASNZWKVAX-UQKRIMTDSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
ethyl 3-[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 54414859
ethyl 3-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride
CID 67781787
ethyl 3-[(7S)-7-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 57321067
ethyl 3-(7-fluoro-9,10-dihydrophenanthren-2-yl)prop-2-enoate
CID 54234505
ethyl 5-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 57146036
ethyl 5-[[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pentanoate
CID 54113482
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-(2,5-dihydro-1-benzoxepin-8-yl)prop-2-enoate
CID 135041747
ethyl 2-[7-[(E)-2-(4-cyanophenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 10521456

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride?
The IUPAC name of ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride (CID 67782323) is ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride?
The canonical SMILES for ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride is CCOC(=O)C=Cc1ccc2c(c1)C[C@@H](N)CC2.Cl.
What is the InChIKey of ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride?
The InChIKey is WVYBVASNZWKVAX-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-18-15(17)8-4-11-3-5-12-6-7-14(16)10-13(12)9-11;/h3-5,8-9,14H,2,6-7,10,16H2,1H3;1H/t14-;/m0./s1.
What are the key properties of ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride?
ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7S)-7-amino-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate;hydrochloride is sourced from PubChem (CID 67782323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).