5-(1-aminobutyl)furan-2-carboxylic acid

C9H13NO3 — CID 55292890

IUPAC5-(1-aminobutyl)furan-2-carboxylic acid
SMILESCCCC(N)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-2-3-6(10)7-4-5-8(13-7)9(11)12/h4-6H,2-3,10H2,1H3,(H,11,12)
InChIKeyNFIAZSGMMILUAC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.78
Rot. Bonds4

About 5-(1-aminobutyl)furan-2-carboxylic acid

5-(1-aminobutyl)furan-2-carboxylic acid (PubChem CID 55292890) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(1-aminobutyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-aminobutyl)furan-2-carboxylic acid
PubChem CID55292890
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-(1-aminobutyl)furan-2-carboxylic acid
SMILESCCCC(N)c1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-2-3-6(10)7-4-5-8(13-7)9(11)12/h4-6H,2-3,10H2,1H3,(H,11,12)
InChIKeyNFIAZSGMMILUAC-UHFFFAOYSA-N
XLogP1.78
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-aminobutyl]-N-hydroxyfuran-2-carboxamide
CID 88903392
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090734
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029
5-[1-(2-ethoxy-2-oxoethyl)sulfanylethyl]furan-2-carboxylic acid
CID 79084512
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-aminobutyl)furan-2-carboxylic acid (CID 55292890) is 5-(1-aminobutyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-aminobutyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-aminobutyl)furan-2-carboxylic acid is CCCC(N)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-aminobutyl)furan-2-carboxylic acid?
The InChIKey is NFIAZSGMMILUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-3-6(10)7-4-5-8(13-7)9(11)12/h4-6H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 5-(1-aminobutyl)furan-2-carboxylic acid?
5-(1-aminobutyl)furan-2-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)furan-2-carboxylic acid is sourced from PubChem (CID 55292890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).