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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Related Compounds

2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634
2-[[2-(dicyclopropylmethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119180062
2-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]furan-3-carboxylic acid
CID 112748987
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
2-[2-oxo-2-(piperidin-1-ylamino)ethyl]furan-3-carboxylic acid
CID 112749081
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]furan-3-carboxylic acid
CID 103262470
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437
2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
2-[[2-[1-(oxan-4-yl)ethylcarbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 120692212
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
CID 55083999

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).