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

C15H26N2O4 — CID 66265543

IUPAC4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(CNC(=O)N(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)7-16-15(20)17(2)13-9-21-8-12(13)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWXZYGVOWQBNSJR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.55
Rot. Bonds4

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

4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66265543) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66265543
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(CNC(=O)N(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)7-16-15(20)17(2)13-9-21-8-12(13)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWXZYGVOWQBNSJR-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66267125
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid (CID 66265543) is 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is CC1CCC(CNC(=O)N(C)C2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is WXZYGVOWQBNSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)7-16-15(20)17(2)13-9-21-8-12(13)14(18)19/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).