2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid

C19H21NO4 — CID 119348048

IUPAC2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-24-10-9-20(12-18(21)22)19(23)17-11-16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,9-12H2,1H3,(H,21,22)
InChIKeyOJPHLJNKMUUOHE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds7

About 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid

2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 119348048) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
PubChem CID119348048
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC1c1cccc2ccccc12
InChIInChI=1S/C19H21NO4/c1-24-10-9-20(12-18(21)22)19(23)17-11-16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,9-12H2,1H3,(H,21,22)
InChIKeyOJPHLJNKMUUOHE-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid (CID 119348048) is 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC1c1cccc2ccccc12.
What is the InChIKey of 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is OJPHLJNKMUUOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-24-10-9-20(12-18(21)22)19(23)17-11-16(17)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,16-17H,9-12H2,1H3,(H,21,22).
What are the key properties of 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid?
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 119348048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).