5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid

C15H20N2O4 — CID 126432982

IUPAC5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCC[C@@H]1C=CCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H20N2O4/c1-2-3-5-11-6-4-9-17(11)15(20)16-10-12-7-8-13(21-12)14(18)19/h4,6-8,11H,2-3,5,9-10H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyRNRUBNAFCFMQSO-LLVKDONJSA-N
MW292.33 g/mol
LogP2.62
Rot. Bonds6

About 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 126432982) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID126432982
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCC[C@@H]1C=CCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H20N2O4/c1-2-3-5-11-6-4-9-17(11)15(20)16-10-12-7-8-13(21-12)14(18)19/h4,6-8,11H,2-3,5,9-10H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyRNRUBNAFCFMQSO-LLVKDONJSA-N
XLogP2.62
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
2-butyl-N-(2-phenylmethoxyethyl)-2,5-dihydropyrrole-1-carboxamide
CID 122572962
5-[[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 102891015
5-[[(3-carbamoylmorpholine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 83098732
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126423001
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 113475840
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129465976
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 126432982) is 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid is CCCC[C@@H]1C=CCN1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is RNRUBNAFCFMQSO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-3-5-11-6-4-9-17(11)15(20)16-10-12-7-8-13(21-12)14(18)19/h4,6-8,11H,2-3,5,9-10H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 126432982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).