5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C14H20N2O5 — CID 102783248

IUPAC5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)N2CCC(C)C2CO)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-3-4-16(12(8)7-17)14(20)15-6-10-5-11(13(18)19)9(2)21-10/h5,8,12,17H,3-4,6-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyAIRVJBVJQYDKBR-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.20
Rot. Bonds4

About 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 102783248) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID102783248
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)N2CCC(C)C2CO)cc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-8-3-4-16(12(8)7-17)14(20)15-6-10-5-11(13(18)19)9(2)21-10/h5,8,12,17H,3-4,6-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyAIRVJBVJQYDKBR-UHFFFAOYSA-N
XLogP1.20
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61200264
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 61186721
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 100660405
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 124737529
methyl 5-[(4-azatricyclo[4.3.1.13,8]undecane-4-carbonylamino)methyl]-2-methylfuran-3-carboxylate
CID 56800041

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 102783248) is 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)N2CCC(C)C2CO)cc1C(=O)O.
What is the InChIKey of 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is AIRVJBVJQYDKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-8-3-4-16(12(8)7-17)14(20)15-6-10-5-11(13(18)19)9(2)21-10/h5,8,12,17H,3-4,6-7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 102783248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).