3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C15H22N2O4 — CID 66030647

IUPAC3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(C)NC(=O)NC2CCC(C(=O)O)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-8-6-13(10(3)21-8)9(2)16-15(20)17-12-5-4-11(7-12)14(18)19/h6,9,11-12H,4-5,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQWFZEEGFRBQTSQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds4

About 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66030647) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66030647
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(C)NC(=O)NC2CCC(C(=O)O)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-8-6-13(10(3)21-8)9(2)16-15(20)17-12-5-4-11(7-12)14(18)19/h6,9,11-12H,4-5,7H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyQWFZEEGFRBQTSQ-UHFFFAOYSA-N
XLogP2.51
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95282642
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423858
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 66030647) is 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is Cc1cc(C(C)NC(=O)NC2CCC(C(=O)O)C2)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QWFZEEGFRBQTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8-6-13(10(3)21-8)9(2)16-15(20)17-12-5-4-11(7-12)14(18)19/h6,9,11-12H,4-5,7H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).