5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid

C15H19NO4 — CID 103246849

IUPAC5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
SMILESCC(CCc1ccco1)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H19NO4/c1-10(5-6-12-4-3-9-19-12)16-11(2)13-7-8-14(20-13)15(17)18/h3-4,7-11,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyWOORSZXBJQEWTD-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.24
Rot. Bonds7

About 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid

5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid (PubChem CID 103246849) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
PubChem CID103246849
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
SMILESCC(CCc1ccco1)NC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H19NO4/c1-10(5-6-12-4-3-9-19-12)16-11(2)13-7-8-14(20-13)15(17)18/h3-4,7-11,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyWOORSZXBJQEWTD-UHFFFAOYSA-N
XLogP3.24
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid (CID 103246849) is 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid is CC(CCc1ccco1)NC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid?
The InChIKey is WOORSZXBJQEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(5-6-12-4-3-9-19-12)16-11(2)13-7-8-14(20-13)15(17)18/h3-4,7-11,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid?
5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103246849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).