4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 102865773

IUPAC4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N(CCO)C1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-14(11-8-20-7-10(11)12(17)18)13(19)15(5-6-16)9-3-2-4-9/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyYFRAZJGGNQSRGD-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds5

About 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 102865773) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID102865773
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)N(CCO)C1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-14(11-8-20-7-10(11)12(17)18)13(19)15(5-6-16)9-3-2-4-9/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyYFRAZJGGNQSRGD-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66265733
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175661
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-amino-N-cyclobutyl-N-(2-hydroxyethyl)oxolane-3-carboxamide
CID 102862095
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
4-[methyl-[2-methylpropyl(propan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266524
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 102865773) is 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is CN(C(=O)N(CCO)C1CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is YFRAZJGGNQSRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-14(11-8-20-7-10(11)12(17)18)13(19)15(5-6-16)9-3-2-4-9/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102865773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).