5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

C16H25N3O5 — CID 134706242

IUPAC5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(CN(C)CC(=O)NCc1ccc(C(=O)O)o1)N1CCOCC1
InChIInChI=1S/C16H25N3O5/c1-12(19-5-7-23-8-6-19)10-18(2)11-15(20)17-9-13-3-4-14(24-13)16(21)22/h3-4,12H,5-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeySBFOPFFVUKFLGZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP0.25
Rot. Bonds8

About 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 134706242) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID134706242
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(CN(C)CC(=O)NCc1ccc(C(=O)O)o1)N1CCOCC1
InChIInChI=1S/C16H25N3O5/c1-12(19-5-7-23-8-6-19)10-18(2)11-15(20)17-9-13-3-4-14(24-13)16(21)22/h3-4,12H,5-11H2,1-2H3,(H,17,20)(H,21,22)
InChIKeySBFOPFFVUKFLGZ-UHFFFAOYSA-N
XLogP0.25
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 79021920
N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
CID 125166646
5-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119245685
2-[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756782
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]methyl]furan-2-carboxylic acid
CID 119245936
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
5-[[(1-morpholin-4-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652941
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid (CID 134706242) is 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is CC(CN(C)CC(=O)NCc1ccc(C(=O)O)o1)N1CCOCC1.
What is the InChIKey of 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is SBFOPFFVUKFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-12(19-5-7-23-8-6-19)10-18(2)11-15(20)17-9-13-3-4-14(24-13)16(21)22/h3-4,12H,5-11H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 134706242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).