ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate

C19H25NO2 — CID 154574156

IUPACethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC12CCCCCC2
InChIInChI=1S/C19H25NO2/c1-2-22-18(21)16-17(20)15-10-6-5-9-14(15)13-19(16)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13,20H2,1H3
InChIKeyUDASJBGEWBWCRL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.82
Rot. Bonds2

About ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate

ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate (PubChem CID 154574156) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
PubChem CID154574156
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nameethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC12CCCCCC2
InChIInChI=1S/C19H25NO2/c1-2-22-18(21)16-17(20)15-10-6-5-9-14(15)13-19(16)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13,20H2,1H3
InChIKeyUDASJBGEWBWCRL-UHFFFAOYSA-N
XLogP3.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(butanoylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
CID 3112840
ethyl 1-[2-(benzylcarbamothioyl)hydrazinyl]spiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
CID 155907111
ethyl 1-(benzoylcarbamothioylamino)spiro[4H-naphthalene-3,1'-cyclopentane]-2-carboxylate
CID 2258992
ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
CID 10911403
ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)acetate
CID 23762741
ethyl 1-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55992202
ethyl 2-hydroxyimino-2-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylacetate
CID 135452122
1-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-3-methylurea
CID 29136827
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
ethyl 2-[13-(2-ethoxy-2-oxoethyl)sulfanyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-17-yl]acetate
CID 1265313
ethyl (5E)-5-methyl-7-oxo-9,10-dihydro-8H-benzo[8]annulene-6-carboxylate
CID 25032997
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400597

Frequently Asked Questions

What is the IUPAC name of ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate?
The IUPAC name of ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate (CID 154574156) is ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate.
What is the SMILES notation for ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate?
The canonical SMILES for ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate is CCOC(=O)C1=C(N)c2ccccc2CC12CCCCCC2.
What is the InChIKey of ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate?
The InChIKey is UDASJBGEWBWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-22-18(21)16-17(20)15-10-6-5-9-14(15)13-19(16)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13,20H2,1H3.
What are the key properties of ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate?
ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate is sourced from PubChem (CID 154574156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).