ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate

C16H21NO2 — CID 657603

IUPACethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C(C)C
InChIInChI=1S/C16H21NO2/c1-4-19-16(18)14-13(10(2)3)9-11-7-5-6-8-12(11)15(14)17/h5-8,10,13H,4,9,17H2,1-3H3
InChIKeyZGGNIJBQHUGZMV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds3

About ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate

ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 657603) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID657603
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2ccccc2CC1C(C)C
InChIInChI=1S/C16H21NO2/c1-4-19-16(18)14-13(10(2)3)9-11-7-5-6-8-12(11)15(14)17/h5-8,10,13H,4,9,17H2,1-3H3
InChIKeyZGGNIJBQHUGZMV-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
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-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate (CID 657603) is ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate is CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C.
What is the InChIKey of ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is ZGGNIJBQHUGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-19-16(18)14-13(10(2)3)9-11-7-5-6-8-12(11)15(14)17/h5-8,10,13H,4,9,17H2,1-3H3.
What are the key properties of ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate?
ethyl 1-amino-3-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 2.75, 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-propan-2-yl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 657603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).