2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid

C14H21NO5 — CID 119221935

IUPAC2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CCOC(C)C)cc1C(=O)O
InChIInChI=1S/C14H21NO5/c1-9(2)19-6-5-13(16)15(4)8-11-7-12(14(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyLISGRQJGEZGSKS-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.06
Rot. Bonds7

About 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 119221935) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
PubChem CID119221935
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CCOC(C)C)cc1C(=O)O
InChIInChI=1S/C14H21NO5/c1-9(2)19-6-5-13(16)15(4)8-11-7-12(14(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyLISGRQJGEZGSKS-UHFFFAOYSA-N
XLogP2.06
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[3-(2-methoxyethoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222528
5-[[4-ethoxybutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222513
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
5-[[2,3-dimethylbutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222286
5-[[3-(4-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222140
2-methyl-5-[[methyl-[4-(4-methylphenyl)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119221788
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
2-methyl-5-[[methyl-[3-[(2R,5S)-5-methyloxolan-2-yl]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125132347
2-methyl-5-[[methyl-[4-(2-methylphenoxy)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 119222646
5-[[[2-(butanoylamino)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222497
5-[[2-but-3-enoxypropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid (CID 119221935) is 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)CCOC(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is LISGRQJGEZGSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9(2)19-6-5-13(16)15(4)8-11-7-12(14(17)18)10(3)20-11/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119221935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).