amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate

C15H21NO3 — CID 2801417

IUPACamino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate
SMILESCc1ccc(OC(C)(C)C(=O)ON)c2c1CCCC2
InChIInChI=1S/C15H21NO3/c1-10-8-9-13(12-7-5-4-6-11(10)12)18-15(2,3)14(17)19-16/h8-9H,4-7,16H2,1-3H3
InChIKeyMTEJONHJQZAHMR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.45
Rot. Bonds3

About amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate

amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate (PubChem CID 2801417) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate.

Molecular Properties

Compound Nameamino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate
PubChem CID2801417
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameamino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate
SMILESCc1ccc(OC(C)(C)C(=O)ON)c2c1CCCC2
InChIInChI=1S/C15H21NO3/c1-10-8-9-13(12-7-5-4-6-11(10)12)18-15(2,3)14(17)19-16/h8-9H,4-7,16H2,1-3H3
InChIKeyMTEJONHJQZAHMR-UHFFFAOYSA-N
XLogP2.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate?
The IUPAC name of amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate (CID 2801417) is amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate.
What is the SMILES notation for amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate?
The canonical SMILES for amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate is Cc1ccc(OC(C)(C)C(=O)ON)c2c1CCCC2.
What is the InChIKey of amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate?
The InChIKey is MTEJONHJQZAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-9-13(12-7-5-4-6-11(10)12)18-15(2,3)14(17)19-16/h8-9H,4-7,16H2,1-3H3.
What are the key properties of amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate?
amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-methyl-2-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanoate is sourced from PubChem (CID 2801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).