tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid

C16H20N2O2 — CID 67200731

IUPACtert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCc2c(C#N)cccc21
InChIInChI=1S/C16H20N2O2/c1-16(2,3)18(15(19)20)14-9-5-7-12-11(10-17)6-4-8-13(12)14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyKMMDLPIOQXPQPW-CQSZACIVSA-N
MW272.35 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid

tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid (PubChem CID 67200731) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
PubChem CID67200731
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nametert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCc2c(C#N)cccc21
InChIInChI=1S/C16H20N2O2/c1-16(2,3)18(15(19)20)14-9-5-7-12-11(10-17)6-4-8-13(12)14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyKMMDLPIOQXPQPW-CQSZACIVSA-N
XLogP3.71
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The IUPAC name of tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid (CID 67200731) is tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCCc2c(C#N)cccc21.
What is the InChIKey of tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The InChIKey is KMMDLPIOQXPQPW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)18(15(19)20)14-9-5-7-12-11(10-17)6-4-8-13(12)14/h4,6,8,14H,5,7,9H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid has a molecular weight of 272.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid is sourced from PubChem (CID 67200731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).