2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid

C15H20BrNO2 — CID 65055516

IUPAC2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCCC(NC1CCc2cc(Br)ccc2C1)C(=O)O
InChIInChI=1S/C15H20BrNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19)
InChIKeyREDCCYVERSQYTI-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.15
Rot. Bonds5

About 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (PubChem CID 65055516) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
PubChem CID65055516
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
SMILESCCCC(NC1CCc2cc(Br)ccc2C1)C(=O)O
InChIInChI=1S/C15H20BrNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19)
InChIKeyREDCCYVERSQYTI-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid (CID 65055516) is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is CCCC(NC1CCc2cc(Br)ccc2C1)C(=O)O.
What is the InChIKey of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
The InChIKey is REDCCYVERSQYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-3-14(15(18)19)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13-14,17H,2-3,5,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid?
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid has a molecular weight of 326.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid is sourced from PubChem (CID 65055516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).