3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 66249187

IUPAC3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC1CCCCC1CNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10-5-3-4-6-11(10)7-16-14(20)17-12-8-21-9-15(12,2)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyGUVBPDPGHWWQPR-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.60
Rot. Bonds4

About 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid

3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66249187) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66249187
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC1CCCCC1CNC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10-5-3-4-6-11(10)7-16-14(20)17-12-8-21-9-15(12,2)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyGUVBPDPGHWWQPR-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid (CID 66249187) is 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid is CC1CCCCC1CNC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is GUVBPDPGHWWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-5-3-4-6-11(10)7-16-14(20)17-12-8-21-9-15(12,2)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid?
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66249187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).