2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

C16H23NO2 — CID 65064011

IUPAC2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-12(2)10-17(11-16(18)19)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyQTIIOOOILPXOGO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (PubChem CID 65064011) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
PubChem CID65064011
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c1-12(2)10-17(11-16(18)19)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyQTIIOOOILPXOGO-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (CID 65064011) is 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCCc2ccccc21.
What is the InChIKey of 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The InChIKey is QTIIOOOILPXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)10-17(11-16(18)19)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 65064011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).