5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid

C15H21NO3 — CID 103254915

IUPAC5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
SMILESCC(NCC(C1CC1)C1CC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H21NO3/c1-9(13-6-7-14(19-13)15(17)18)16-8-12(10-2-3-10)11-4-5-11/h6-7,9-12,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyFXDMEEOOPDNNOX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.06
Rot. Bonds7

About 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid

5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid (PubChem CID 103254915) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
PubChem CID103254915
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
SMILESCC(NCC(C1CC1)C1CC1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H21NO3/c1-9(13-6-7-14(19-13)15(17)18)16-8-12(10-2-3-10)11-4-5-11/h6-7,9-12,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyFXDMEEOOPDNNOX-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester
CID 2901182
Methyl 5-((sec-butylamino)methyl)furan-2-carboxylate
CID 587501
5-[(Diisopropylamino)-methyl]-furan-2-carboxylic acid
CID 744680
Methyl 5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-3-methylfuran-2-carboxylate
CID 53545163
Methyl 5-[(tert-butylamino)methyl]furan-2-carboxylate
CID 744681
5-[[Di(propan-2-yl)amino]methyl]furan-2-carboxylic acid;hydrochloride
CID 2905140
5-(1-(Piperidin-1-yl)ethyl)furan-2-carboxylic acid hydrochloride
CID 17352639
5-(Acetamidomethyl)furan-2-carboxylic acid
CID 47003345
5-(1-Morpholinoethyl)furan-2-carboxylic acid
CID 3153922
5-(1-Amino-ethyl)-furan-2-carboxylic acid
CID 3160950
N-(dicyclopropylmethyl)-5-ethylfuran-2-carboxamide
CID 32404305
5-[1-(Piperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 4463726

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid (CID 103254915) is 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid is CC(NCC(C1CC1)C1CC1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid?
The InChIKey is FXDMEEOOPDNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(13-6-7-14(19-13)15(17)18)16-8-12(10-2-3-10)11-4-5-11/h6-7,9-12,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid?
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103254915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).