1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C13H17NO3 — CID 21491277

IUPAC1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCOc1ccc2c(c1)C(N)(C(=O)O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-10-6-5-9-4-3-7-13(14,12(15)16)11(9)8-10/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyPNISIKCUCVZQRI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.66
Rot. Bonds3

About 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 21491277) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID21491277
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESCCOc1ccc2c(c1)C(N)(C(=O)O)CCC2
InChIInChI=1S/C13H17NO3/c1-2-17-10-6-5-9-4-3-7-13(14,12(15)16)11(9)8-10/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyPNISIKCUCVZQRI-UHFFFAOYSA-N
XLogP1.66
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid;hydrochloride
CID 70632149
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
CID 82133597
ethyl 2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)propanoate
CID 70809295
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethyl 4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 103484935
ethyl 3-[8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalen-2-yl]propanoate
CID 57318910

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 21491277) is 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is CCOc1ccc2c(c1)C(N)(C(=O)O)CCC2.
What is the InChIKey of 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is PNISIKCUCVZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-10-6-5-9-4-3-7-13(14,12(15)16)11(9)8-10/h5-6,8H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-ethoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 21491277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).