5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid

C11H16N2O4 — CID 63316686

IUPAC5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCNC(=O)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-2-5-13-10(14)7-12-6-8-3-4-9(17-8)11(15)16/h3-4,12H,2,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyYWSTVHQAWOXMJC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.59
Rot. Bonds7

About 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 63316686) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
PubChem CID63316686
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCNC(=O)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16N2O4/c1-2-5-13-10(14)7-12-6-8-3-4-9(17-8)11(15)16/h3-4,12H,2,5-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyYWSTVHQAWOXMJC-UHFFFAOYSA-N
XLogP0.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103239119
2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
CID 103605856
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid
CID 63944122
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid (CID 63316686) is 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid is CCCNC(=O)CNCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is YWSTVHQAWOXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-5-13-10(14)7-12-6-8-3-4-9(17-8)11(15)16/h3-4,12H,2,5-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63316686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).