5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid

C11H15N3O5 — CID 79090734

IUPAC5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H15N3O5/c1-6(7-2-3-8(19-7)11(17)18)14(4-9(12)15)5-10(13)16/h2-3,6H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,17,18)
InChIKeyOMPJPSBZIQVOMY-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.69
Rot. Bonds7

About 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 79090734) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID79090734
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H15N3O5/c1-6(7-2-3-8(19-7)11(17)18)14(4-9(12)15)5-10(13)16/h2-3,6H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,17,18)
InChIKeyOMPJPSBZIQVOMY-UHFFFAOYSA-N
XLogP-0.69
TPSA139.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704
5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
5-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylic acid
CID 79090150
5-[1-[butan-2-yl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 79083835
5-(1-propan-2-ylsulfanylethyl)furan-2-carboxylic acid
CID 79084607
5-[1-(3-aminopropylsulfanyl)ethyl]furan-2-carboxylic acid
CID 79083738
5-[1-[methyl-[(4-methylphenyl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79083648
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890
5-[1-(2-ethoxy-2-oxoethyl)sulfanylethyl]furan-2-carboxylic acid
CID 79084512

Frequently Asked Questions

What is the IUPAC name of 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid (CID 79090734) is 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is OMPJPSBZIQVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(7-2-3-8(19-7)11(17)18)14(4-9(12)15)5-10(13)16/h2-3,6H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,17,18).
What are the key properties of 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79090734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).