ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

C16H23NO3 — CID 67422105

IUPACethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)(N)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C16H23NO3/c1-4-20-15(18)16(2,17)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h6,8,10,13H,4-5,7,9,17H2,1-3H3
InChIKeyRQIMIRAUSRNRCE-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.08
Rot. Bonds4

About ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate

ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (PubChem CID 67422105) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
PubChem CID67422105
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)(N)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C16H23NO3/c1-4-20-15(18)16(2,17)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h6,8,10,13H,4-5,7,9,17H2,1-3H3
InChIKeyRQIMIRAUSRNRCE-UHFFFAOYSA-N
XLogP2.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)butanoate
CID 115511255
diethyl 2-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-2-methylpropanedioate
CID 86332149
ethyl 2,2-difluoro-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 142856006
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
CID 71030229
[6-(5-methoxy-2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
CID 58035883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate (CID 67422105) is ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is CCOC(=O)C(C)(N)C1CCc2cc(OC)ccc2C1.
What is the InChIKey of ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
The InChIKey is RQIMIRAUSRNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-20-15(18)16(2,17)13-7-5-12-10-14(19-3)8-6-11(12)9-13/h6,8,10,13H,4-5,7,9,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate?
ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate is sourced from PubChem (CID 67422105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).