2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid

C14H17NO4 — CID 112749030

IUPAC2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
SMILESO=C(Cc1occc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H17NO4/c16-12(7-11-10(14(17)18)5-6-19-11)15-13(8-1-2-8)9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyVQOUUQHXDAAWMO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid

2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid (PubChem CID 112749030) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
PubChem CID112749030
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid
SMILESO=C(Cc1occc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C14H17NO4/c16-12(7-11-10(14(17)18)5-6-19-11)15-13(8-1-2-8)9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyVQOUUQHXDAAWMO-UHFFFAOYSA-N
XLogP1.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid (CID 112749030) is 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid is O=C(Cc1occc1C(=O)O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid?
The InChIKey is VQOUUQHXDAAWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(7-11-10(14(17)18)5-6-19-11)15-13(8-1-2-8)9-3-4-9/h5-6,8-9,13H,1-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid?
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclopropylmethylamino)-2-oxoethyl]furan-3-carboxylic acid is sourced from PubChem (CID 112749030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).