3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid

C15H24N2O4 — CID 81066841

IUPAC3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC(C)c1cc(C)oc1C)CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-5-12(7-14(18)19)8-16-15(20)17-10(3)13-6-9(2)21-11(13)4/h6,10,12H,5,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyLBWNUKPTURXNIL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.76
Rot. Bonds7

About 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid

3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid (PubChem CID 81066841) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
PubChem CID81066841
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NC(C)c1cc(C)oc1C)CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-5-12(7-14(18)19)8-16-15(20)17-10(3)13-6-9(2)21-11(13)4/h6,10,12H,5,7-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyLBWNUKPTURXNIL-UHFFFAOYSA-N
XLogP2.76
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
3-[(1-pyridin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069615
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 111505380
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
3-[(1-pyridin-2-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069764
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid (CID 81066841) is 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NC(C)c1cc(C)oc1C)CC(=O)O.
What is the InChIKey of 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is LBWNUKPTURXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-12(7-14(18)19)8-16-15(20)17-10(3)13-6-9(2)21-11(13)4/h6,10,12H,5,7-8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid?
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.76, 7 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]methyl]pentanoic acid is sourced from PubChem (CID 81066841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).