potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C16H20KNO4 — CID 86346322

IUPACpotassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCc2c(cccc2C(=O)[O-])C1.[K+]
InChIInChI=1S/C16H21NO4.K/c1-16(2,3)21-15(20)17-11-7-8-12-10(9-11)5-4-6-13(12)14(18)19;/h4-6,11H,7-9H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
InChIKeyPINUCPZGRQACHO-UHFFFAOYSA-M
MW329.44 g/mol
LogP-1.56
Rot. Bonds2

About potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate

potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 86346322) has the molecular formula C16H20KNO4 and a molecular weight of 329.44 g/mol. Its IUPAC name is potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namepotassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID86346322
Molecular FormulaC16H20KNO4
Molecular Weight329.44 g/mol
Exact Mass329.10
IUPAC Namepotassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1CCc2c(cccc2C(=O)[O-])C1.[K+]
InChIInChI=1S/C16H21NO4.K/c1-16(2,3)21-15(20)17-11-7-8-12-10(9-11)5-4-6-13(12)14(18)19;/h4-6,11H,7-9H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1
InChIKeyPINUCPZGRQACHO-UHFFFAOYSA-M
XLogP-1.56
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 86346322) is potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CC(C)(C)OC(=O)NC1CCc2c(cccc2C(=O)[O-])C1.[K+].
What is the InChIKey of potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is PINUCPZGRQACHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21NO4.K/c1-16(2,3)21-15(20)17-11-7-8-12-10(9-11)5-4-6-13(12)14(18)19;/h4-6,11H,7-9H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 86346322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).