5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C14H20N2O5 — CID 119226813

IUPAC5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCNC(=O)CCCC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C14H20N2O5/c1-3-15-12(17)5-4-6-13(18)16-8-10-7-11(14(19)20)9(2)21-10/h7H,3-6,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyDSAVOIPCEKOGJQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.21
Rot. Bonds8

About 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226813) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226813
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCNC(=O)CCCC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C14H20N2O5/c1-3-15-12(17)5-4-6-13(18)16-8-10-7-11(14(19)20)9(2)21-10/h7H,3-6,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyDSAVOIPCEKOGJQ-UHFFFAOYSA-N
XLogP1.21
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
2-methyl-5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-3-carboxylic acid
CID 119226205
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113382102
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[(prop-2-enoylamino)methyl]furan-3-carboxylic acid
CID 61025083
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
2-methyl-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226788
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
CID 125148333
5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687185

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226813) is 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is CCNC(=O)CCCC(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is DSAVOIPCEKOGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-15-12(17)5-4-6-13(18)16-8-10-7-11(14(19)20)9(2)21-10/h7H,3-6,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).