3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 64891050

IUPAC3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCC1CCC(N(C)C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-6-12(7-5-11)17(2)14(20)16-15(13(18)19)8-9-21-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXXOSDALSTGLAGP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds4

About 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid

3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64891050) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64891050
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCC1CCC(N(C)C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-6-12(7-5-11)17(2)14(20)16-15(13(18)19)8-9-21-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXXOSDALSTGLAGP-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 64891050) is 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is CCC1CCC(N(C)C(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XXOSDALSTGLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-4-6-12(7-5-11)17(2)14(20)16-15(13(18)19)8-9-21-10-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid?
3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64891050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).