3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid

C14H24N2O5 — CID 64893286

IUPAC3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H24N2O5/c17-12(18)14(6-8-20-10-14)16-13(19)15-7-9-21-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyZJCJBAMOHJPCRD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.88
Rot. Bonds6

About 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid

3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64893286) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64893286
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCCOC1CCCCC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H24N2O5/c17-12(18)14(6-8-20-10-14)16-13(19)15-7-9-21-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyZJCJBAMOHJPCRD-UHFFFAOYSA-N
XLogP0.88
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid (CID 64893286) is 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NCCOC1CCCCC1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is ZJCJBAMOHJPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-12(18)14(6-8-20-10-14)16-13(19)15-7-9-21-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid?
3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyethylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64893286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).