5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid

C14H26N2O4 — CID 102688222

IUPAC5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CN(CCN(C)C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H26N2O4/c1-10(2)9-16(8-7-15(3)4)13(17)11-5-6-12(20-11)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyLYMMYSSUZGUUMJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.66
Rot. Bonds7

About 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid

5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688222) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688222
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CN(CCN(C)C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H26N2O4/c1-10(2)9-16(8-7-15(3)4)13(17)11-5-6-12(20-11)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyLYMMYSSUZGUUMJ-UHFFFAOYSA-N
XLogP0.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688123
5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687792
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
5-[1-hydroxypropan-2-yl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688926
(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102991739
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
5-[2-cyanoethyl(ethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688228
5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687681
(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945104
(2R,5S)-5-[[ethyl(2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 165455043
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688222) is 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is CC(C)CN(CCN(C)C)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LYMMYSSUZGUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)9-16(8-7-15(3)4)13(17)11-5-6-12(20-11)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).