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

C10H16N2O6 — CID 106234765

IUPAC5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)COCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C10H16N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySPFUXWWZNONPIE-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.76
Rot. Bonds7

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

5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 106234765) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID106234765
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
SMILESNC(=O)COCCNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C10H16N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySPFUXWWZNONPIE-UHFFFAOYSA-N
XLogP-1.76
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
5-[2-(2,2-difluoroethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 103090704
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2R,5S)-5-(2-cyclohexyloxyethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945281
5-(3-ethoxypropylcarbamoyl)oxolane-2-carboxylic acid
CID 102687639
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
(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-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
5-[(4-methoxy-4-oxobutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688062

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid (CID 106234765) is 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is NC(=O)COCCNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SPFUXWWZNONPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c11-8(13)5-17-4-3-12-9(14)6-1-2-7(18-6)10(15)16/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid?
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of -1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106234765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).