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

C13H21NO4 — CID 107175661

IUPAC4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-5-9(8)12(15)14(2)11-7-18-6-10(11)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyNEMQRRQRLRYOOV-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.98
Rot. Bonds3

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

4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 107175661) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID107175661
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-5-9(8)12(15)14(2)11-7-18-6-10(11)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyNEMQRRQRLRYOOV-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236007
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]oxolane-3-carboxylic acid
CID 104967966
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 102865773
4-[cyclohex-3-ene-1-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235925
4-[di(cyclobutyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 112743509
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66265733

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (CID 107175661) is 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is CC1CCCC1C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NEMQRRQRLRYOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-4-3-5-9(8)12(15)14(2)11-7-18-6-10(11)13(16)17/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107175661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).