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

C18H25NO4 — CID 57233926

IUPACethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H25NO4/c1-5-22-16(20)13-7-6-12-8-9-15(11-14(12)10-13)19-17(21)23-18(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyUDUDCHBJDCDGSX-OAHLLOKOSA-N
MW319.40 g/mol
LogP3.25
Rot. Bonds3

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

ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 57233926) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID57233926
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H25NO4/c1-5-22-16(20)13-7-6-12-8-9-15(11-14(12)10-13)19-17(21)23-18(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3,(H,19,21)/t15-/m1/s1
InChIKeyUDUDCHBJDCDGSX-OAHLLOKOSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 57233926) is ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)c1ccc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is UDUDCHBJDCDGSX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-22-16(20)13-7-6-12-8-9-15(11-14(12)10-13)19-17(21)23-18(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3,(H,19,21)/t15-/m1/s1.
What are the key properties of ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 57233926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).