4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid

C14H20N2O5 — CID 115292996

IUPAC4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOCC2)o1
InChIInChI=1S/C14H20N2O5/c1-9-3-4-11(21-9)10(2)15-13(19)16-14(12(17)18)5-7-20-8-6-14/h3-4,10H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRJIPYRLISSIYLL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.58
Rot. Bonds4

About 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid

4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid (PubChem CID 115292996) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
PubChem CID115292996
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOCC2)o1
InChIInChI=1S/C14H20N2O5/c1-9-3-4-11(21-9)10(2)15-13(19)16-14(12(17)18)5-7-20-8-6-14/h3-4,10H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRJIPYRLISSIYLL-UHFFFAOYSA-N
XLogP1.58
TPSA100.80 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 ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892861
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
4-(4-methylpent-1-yn-3-ylcarbamoylamino)oxane-4-carboxylic acid
CID 114202687
4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985
4-(1-methoxypropan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113280404
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
4-(pent-4-yn-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 113478039
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid (CID 115292996) is 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid is Cc1ccc(C(C)NC(=O)NC2(C(=O)O)CCOCC2)o1.
What is the InChIKey of 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
The InChIKey is RJIPYRLISSIYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9-3-4-11(21-9)10(2)15-13(19)16-14(12(17)18)5-7-20-8-6-14/h3-4,10H,5-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid?
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).