5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C14H20N2O5 — CID 102865441

IUPAC5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(CCO)C2CCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9-12(13(18)19)7-11(21-9)8-15-14(20)16(5-6-17)10-3-2-4-10/h7,10,17H,2-6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFYVMBRQQMXZNNU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.34
Rot. Bonds6

About 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 102865441) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID102865441
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)N(CCO)C2CCC2)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-9-12(13(18)19)7-11(21-9)8-15-14(20)16(5-6-17)10-3-2-4-10/h7,10,17H,2-6,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFYVMBRQQMXZNNU-UHFFFAOYSA-N
XLogP1.34
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61203496
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-methyl-5-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]furan-3-carboxylic acid
CID 61428919
5-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023267
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
5-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61200264
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102783248
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798

Frequently Asked Questions

What is the IUPAC name of 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 102865441) is 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)N(CCO)C2CCC2)cc1C(=O)O.
What is the InChIKey of 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is FYVMBRQQMXZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9-12(13(18)19)7-11(21-9)8-15-14(20)16(5-6-17)10-3-2-4-10/h7,10,17H,2-6,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 102865441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).