1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid

C15H19NO4 — CID 13132103

IUPAC1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid
SMILESCOCC(=O)N(c1c(C)cccc1C)C1(C(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-10-5-4-6-11(2)13(10)16(12(17)9-20-3)15(7-8-15)14(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyPOCDUUSRPJXUSW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.90
Rot. Bonds5

About 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid

1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid (PubChem CID 13132103) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid
PubChem CID13132103
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid
SMILESCOCC(=O)N(c1c(C)cccc1C)C1(C(=O)O)CC1
InChIInChI=1S/C15H19NO4/c1-10-5-4-6-11(2)13(10)16(12(17)9-20-3)15(7-8-15)14(18)19/h4-6H,7-9H2,1-3H3,(H,18,19)
InChIKeyPOCDUUSRPJXUSW-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid (CID 13132103) is 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid is COCC(=O)N(c1c(C)cccc1C)C1(C(=O)O)CC1.
What is the InChIKey of 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid?
The InChIKey is POCDUUSRPJXUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-4-6-11(2)13(10)16(12(17)9-20-3)15(7-8-15)14(18)19/h4-6H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid?
1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 13132103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).