5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid

C11H20N2O4 — CID 102688459

IUPAC5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCN(C)CCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H20N2O4/c1-3-13(2)7-6-12-10(14)8-4-5-9(17-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDVLXHRTVDAIDNK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid

5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688459) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688459
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCN(C)CCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C11H20N2O4/c1-3-13(2)7-6-12-10(14)8-4-5-9(17-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyDVLXHRTVDAIDNK-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
5-(2-methylsulfinylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688981
(2R,5S)-5-(pent-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945764
5-[2-(methanesulfonamido)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102687669
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427121
(2R,5S)-5-(6-hydroxyhexylcarbamoyl)oxolane-2-carboxylic acid
CID 107846499
(2R,5S)-5-(but-3-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945299
(2R,5S)-5-[[2-(ethylamino)-2-oxoethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944416
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062
5-(cyanomethylcarbamoyl)oxolane-2-carboxylic acid
CID 102688288

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid (CID 102688459) is 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid is CCN(C)CCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is DVLXHRTVDAIDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-13(2)7-6-12-10(14)8-4-5-9(17-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(methyl)amino]ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).