methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate

C17H25NO2 — CID 63770956

IUPACmethyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCCc2ccccc21)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)18(12-17(19)20-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyCIRMIOGDPXPSTH-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate

methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate (PubChem CID 63770956) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
PubChem CID63770956
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCCc2ccccc21)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)18(12-17(19)20-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyCIRMIOGDPXPSTH-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate (CID 63770956) is methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate is COC(=O)CN(CC1CCCc2ccccc21)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate?
The InChIKey is CIRMIOGDPXPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)18(12-17(19)20-3)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate?
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate has a molecular weight of 275.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate is sourced from PubChem (CID 63770956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).