2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 16781458

IUPAC2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10-5-2-3-7-14(10,12(17)18)16-13(19)15-9-11-6-4-8-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZSQMDLITVVIRRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 16781458) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID16781458
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)NCC1CCCO1)C(=O)O
InChIInChI=1S/C14H24N2O4/c1-10-5-2-3-7-14(10,12(17)18)16-13(19)15-9-11-6-4-8-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZSQMDLITVVIRRM-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 16781458) is 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)NCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZSQMDLITVVIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-5-2-3-7-14(10,12(17)18)16-13(19)15-9-11-6-4-8-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 16781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).