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

C15H26N2O4 — CID 66237003

IUPAC4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(NC(=O)CN(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)16-14(18)7-17(2)13-9-21-8-12(13)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCXRIRXZWPLTHKC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.71
Rot. Bonds5

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

4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66237003) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
PubChem CID66237003
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(NC(=O)CN(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)16-14(18)7-17(2)13-9-21-8-12(13)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCXRIRXZWPLTHKC-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66235178
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442686
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66235786
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66235387
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid (CID 66237003) is 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid is CC1CCC(NC(=O)CN(C)C2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is CXRIRXZWPLTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-3-5-11(6-4-10)16-14(18)7-17(2)13-9-21-8-12(13)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).