3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid

C17H21NO3 — CID 65234037

IUPAC3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO3/c1-4-18-17(2,11-16(19)20)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyPMJSKLKUIRHCPY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds6

About 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid

3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid (PubChem CID 65234037) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
PubChem CID65234037
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCNC(C)(CC(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H21NO3/c1-4-18-17(2,11-16(19)20)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyPMJSKLKUIRHCPY-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
3-(ethylamino)-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 65233979
3-(ethylamino)-3-(4-methylphenyl)butanoic acid
CID 65236813
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
CID 65233928
3-(ethylamino)-3-naphthalen-2-ylbutan-1-ol
CID 65240126
3-(methylamino)-3-naphthalen-2-ylbutanoic acid
CID 65236663
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate
CID 67694991

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The IUPAC name of 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid (CID 65234037) is 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid is CCNC(C)(CC(=O)O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The InChIKey is PMJSKLKUIRHCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-18-17(2,11-16(19)20)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,18H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid?
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid has a molecular weight of 287.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 65234037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).