ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate

C18H23NO2 — CID 4271758

IUPACethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C1CCCC1
InChIInChI=1S/C18H23NO2/c1-2-21-18(20)16-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)17(16)19/h5-6,9-10,12,15H,2-4,7-8,11,19H2,1H3
InChIKeyUIALCWQVKYXNPS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds3

About ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate

ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 4271758) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID4271758
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C1CCCC1
InChIInChI=1S/C18H23NO2/c1-2-21-18(20)16-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)17(16)19/h5-6,9-10,12,15H,2-4,7-8,11,19H2,1H3
InChIKeyUIALCWQVKYXNPS-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate (CID 4271758) is ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate is CCOC(=O)C1=C(N)c2ccccc2CC1C1CCCC1.
What is the InChIKey of ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is UIALCWQVKYXNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-18(20)16-15(12-7-3-4-8-12)11-13-9-5-6-10-14(13)17(16)19/h5-6,9-10,12,15H,2-4,7-8,11,19H2,1H3.
What are the key properties of ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate?
ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-cyclopentyl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 4271758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).