[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid

C14H18BrNO2 — CID 142689463

IUPAC[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-2-7-16(14(17)18)13-6-4-10-8-12(15)5-3-11(10)9-13/h3,5,8,13H,2,4,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyJITJQLVCSIAIKD-CYBMUJFWSA-N
MW312.21 g/mol
LogP3.70
Rot. Bonds3

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

[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (PubChem CID 142689463) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.

Molecular Properties

Compound Name[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
PubChem CID142689463
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
SMILESCCCN(C(=O)O)[C@@H]1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H18BrNO2/c1-2-7-16(14(17)18)13-6-4-10-8-12(15)5-3-11(10)9-13/h3,5,8,13H,2,4,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyJITJQLVCSIAIKD-CYBMUJFWSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The IUPAC name of [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid (CID 142689463) is [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid.
What is the SMILES notation for [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The canonical SMILES for [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid is CCCN(C(=O)O)[C@@H]1CCc2cc(Br)ccc2C1.
What is the InChIKey of [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
The InChIKey is JITJQLVCSIAIKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-2-7-16(14(17)18)13-6-4-10-8-12(15)5-3-11(10)9-13/h3,5,8,13H,2,4,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid?
[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid has a molecular weight of 312.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid is sourced from PubChem (CID 142689463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).