2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid

C16H19NO3 — CID 43753875

IUPAC2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO3/c1-4-17-16(2,15(18)19)13-7-5-12-10-14(20-3)8-6-11(12)9-13/h5-10,17H,4H2,1-3H3,(H,18,19)
InChIKeyXAFNJKLFYLIZPF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.76
Rot. Bonds5

About 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid

2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 43753875) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID43753875
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCCNC(C)(C(=O)O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19NO3/c1-4-17-16(2,15(18)19)13-7-5-12-10-14(20-3)8-6-11(12)9-13/h5-10,17H,4H2,1-3H3,(H,18,19)
InChIKeyXAFNJKLFYLIZPF-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 63702147
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanamide
CID 60797013
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 43753875) is 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid is CCNC(C)(C(=O)O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is XAFNJKLFYLIZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-17-16(2,15(18)19)13-7-5-12-10-14(20-3)8-6-11(12)9-13/h5-10,17H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid?
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 273.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 43753875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).