4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid

C15H26N2O4 — CID 115292915

IUPAC4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCCC1CCCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyLIKRQFGLIDRQMF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.89
Rot. Bonds5

About 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid

4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 115292915) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID115292915
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCCC1CCCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H26N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyLIKRQFGLIDRQMF-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
4-[3-(oxolan-2-yl)propylcarbamoylamino]oxane-4-carboxylic acid
CID 106528159
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293281
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293086
4-(3-propoxypropylcarbamoylamino)oxane-4-carboxylic acid
CID 82943940
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid (CID 115292915) is 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid is O=C(NCCC1CCCCC1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is LIKRQFGLIDRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h12H,1-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid?
4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).