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

C17H23NO4 — CID 66663293

IUPACmethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14-8-7-11-5-6-12(15(19)21-4)9-13(11)10-14/h5-6,9,14H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyACSBURYSMAEOAZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.86
Rot. Bonds2

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

methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 66663293) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID66663293
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14-8-7-11-5-6-12(15(19)21-4)9-13(11)10-14/h5-6,9,14H,7-8,10H2,1-4H3,(H,18,20)
InChIKeyACSBURYSMAEOAZ-UHFFFAOYSA-N
XLogP2.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate with MolForge

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Related Compounds

Methyl 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylate
CID 9834541
Methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
Ethyl 3-[2-[4-(2-acetamidopropyl)phenyl]ethynyl]benzoate
CID 66634806
Ethyl 4-[2-[6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]benzoate
CID 44353412
(5S,6R)-5-Methyl-6-propylamino-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 44374431
8-(((Tert-butoxy)carbonyl)amino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 14756550
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(4-(methoxycarbonyl)phenyl)propanoic acid
CID 18454841
Methyl 3-(2-(((tert-butoxy)carbonyl)amino)ethyl)benzoate
CID 18930710
8-({[(Tert-butoxy)carbonyl]amino}methyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 19359172
4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid
CID 19428190
2-((tert-butoxycarbonyl)amino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 22719598
6-{[(Tert-butoxy)carbonyl]amino}-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359766

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 66663293) is methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is ACSBURYSMAEOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-14-8-7-11-5-6-12(15(19)21-4)9-13(11)10-14/h5-6,9,14H,7-8,10H2,1-4H3,(H,18,20).
What are the key properties of methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 66663293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).