3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid

C13H18N2O4 — CID 54988944

IUPAC3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
SMILESNC(=O)CN(Cc1ccoc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H18N2O4/c14-11(16)8-15(10-3-1-2-4-10)7-9-5-6-19-12(9)13(17)18/h5-6,10H,1-4,7-8H2,(H2,14,16)(H,17,18)
InChIKeyGJBPDUUQRUEULZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.21
Rot. Bonds6

About 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid

3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid (PubChem CID 54988944) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
PubChem CID54988944
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
SMILESNC(=O)CN(Cc1ccoc1C(=O)O)C1CCCC1
InChIInChI=1S/C13H18N2O4/c14-11(16)8-15(10-3-1-2-4-10)7-9-5-6-19-12(9)13(17)18/h5-6,10H,1-4,7-8H2,(H2,14,16)(H,17,18)
InChIKeyGJBPDUUQRUEULZ-UHFFFAOYSA-N
XLogP1.21
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cyclopropyl(3-methylbutyl)amino]methyl]furan-2-carboxylic acid
CID 78974109
3-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437232
2-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclopentylamino]acetamide
CID 114478704
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-[cyclopentyl(1H-indol-4-ylmethyl)amino]acetamide
CID 84593179
2-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-cyclopentylamino]acetamide
CID 115903836
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578786
3-(cyclohexyloxymethyl)furan-2-carboxylic acid
CID 43153123
3-[(cyclohexylmethylamino)methyl]furan-2-carboxylic acid
CID 103237829

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid (CID 54988944) is 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid is NC(=O)CN(Cc1ccoc1C(=O)O)C1CCCC1.
What is the InChIKey of 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid?
The InChIKey is GJBPDUUQRUEULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-11(16)8-15(10-3-1-2-4-10)7-9-5-6-19-12(9)13(17)18/h5-6,10H,1-4,7-8H2,(H2,14,16)(H,17,18).
What are the key properties of 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid?
3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 54988944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).