5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid

C13H18N2O5 — CID 119246000

IUPAC5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCNC(=O)CCC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C13H18N2O5/c1-2-7-14-11(16)5-6-12(17)15-8-9-3-4-10(20-9)13(18)19/h3-4H,2,5-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHTIZOEWJHTZZAF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.90
Rot. Bonds8

About 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid

5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246000) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246000
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCNC(=O)CCC(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C13H18N2O5/c1-2-7-14-11(16)5-6-12(17)15-8-9-3-4-10(20-9)13(18)19/h3-4H,2,5-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHTIZOEWJHTZZAF-UHFFFAOYSA-N
XLogP0.90
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245690
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[3-[4-(trifluoromethoxy)phenyl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119246153
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
5-[[(2-benzylsulfanylacetyl)amino]methyl]furan-2-carboxylic acid
CID 79993972
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid (CID 119246000) is 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid is CCCNC(=O)CCC(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is HTIZOEWJHTZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-7-14-11(16)5-6-12(17)15-8-9-3-4-10(20-9)13(18)19/h3-4H,2,5-8H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).