bis[2-(carbamoylamino)ethyl] oxalate

C8H14N4O6 — CID 175560213

IUPACbis[2-(carbamoylamino)ethyl] oxalate
SMILESNC(=O)NCCOC(=O)C(=O)OCCNC(N)=O
InChIInChI=1S/C8H14N4O6/c9-7(15)11-1-3-17-5(13)6(14)18-4-2-12-8(10)16/h1-4H2,(H3,9,11,15)(H3,10,12,16)
InChIKeyBCCMQXWSIQTUIV-UHFFFAOYSA-N
MW262.22 g/mol
LogP-2.59
Rot. Bonds6

About bis[2-(carbamoylamino)ethyl] oxalate

bis[2-(carbamoylamino)ethyl] oxalate (PubChem CID 175560213) has the molecular formula C8H14N4O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is bis[2-(carbamoylamino)ethyl] oxalate.

Molecular Properties

Compound Namebis[2-(carbamoylamino)ethyl] oxalate
PubChem CID175560213
Molecular FormulaC8H14N4O6
Molecular Weight262.22 g/mol
Exact Mass262.09
IUPAC Namebis[2-(carbamoylamino)ethyl] oxalate
SMILESNC(=O)NCCOC(=O)C(=O)OCCNC(N)=O
InChIInChI=1S/C8H14N4O6/c9-7(15)11-1-3-17-5(13)6(14)18-4-2-12-8(10)16/h1-4H2,(H3,9,11,15)(H3,10,12,16)
InChIKeyBCCMQXWSIQTUIV-UHFFFAOYSA-N
XLogP-2.59
TPSA162.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate
CID 57201487
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2-propan-2-yloxyethylurea
CID 22179539
2-(carbamoylamino)ethyl hydrogen sulfate
CID 174347909
2-(trifluoromethoxy)ethylurea
CID 131225743
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486
2-(3-oxobutoxy)ethylurea
CID 176664573
3-methoxypropylurea
CID 2064040
2-(1,2,2,2-tetrafluoroethoxy)ethylurea
CID 57024872
2-but-3-enoxyethylurea
CID 103852774
2-hydroxyethylurea;iron
CID 174789558

Frequently Asked Questions

What is the IUPAC name of bis[2-(carbamoylamino)ethyl] oxalate?
The IUPAC name of bis[2-(carbamoylamino)ethyl] oxalate (CID 175560213) is bis[2-(carbamoylamino)ethyl] oxalate.
What is the SMILES notation for bis[2-(carbamoylamino)ethyl] oxalate?
The canonical SMILES for bis[2-(carbamoylamino)ethyl] oxalate is NC(=O)NCCOC(=O)C(=O)OCCNC(N)=O.
What is the InChIKey of bis[2-(carbamoylamino)ethyl] oxalate?
The InChIKey is BCCMQXWSIQTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O6/c9-7(15)11-1-3-17-5(13)6(14)18-4-2-12-8(10)16/h1-4H2,(H3,9,11,15)(H3,10,12,16).
What are the key properties of bis[2-(carbamoylamino)ethyl] oxalate?
bis[2-(carbamoylamino)ethyl] oxalate has a molecular weight of 262.22 g/mol, XLogP of -2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(carbamoylamino)ethyl] oxalate is sourced from PubChem (CID 175560213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).