5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid

C13H22N2O5 — CID 102688026

IUPAC5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H22N2O5/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyFILBYHVBXTVUNZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.01
Rot. Bonds6

About 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid

5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688026) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688026
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H22N2O5/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyFILBYHVBXTVUNZ-UHFFFAOYSA-N
XLogP-0.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868358
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
(2R,5S)-5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945642
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688909
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid (CID 102688026) is 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid is CCN(CC)C(=O)C(C)NC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is FILBYHVBXTVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h8-10H,4-7H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).