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

C13H23NO5 — CID 102688123

IUPAC5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(CC(C)C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H23NO5/c1-9(2)8-14(6-7-18-3)12(15)10-4-5-11(19-10)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyHHCHASPROKHAMD-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.75
Rot. Bonds7

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

5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688123) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688123
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCOCCN(CC(C)C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H23NO5/c1-9(2)8-14(6-7-18-3)12(15)10-4-5-11(19-10)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyHHCHASPROKHAMD-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
(2S,5R)-5-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 120787980
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 82951624
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
5-[cyclopentyl(3-methylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688711
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720596
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 79389330
5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687792
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688123) is 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is COCCN(CC(C)C)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HHCHASPROKHAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-9(2)8-14(6-7-18-3)12(15)10-4-5-11(19-10)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid?
5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).