1-(carbamoylamino)-3-(cyclobutylmethyl)urea

C7H14N4O2 — CID 130678370

IUPAC1-(carbamoylamino)-3-(cyclobutylmethyl)urea
SMILESNC(=O)NNC(=O)NCC1CCC1
InChIInChI=1S/C7H14N4O2/c8-6(12)10-11-7(13)9-4-5-2-1-3-5/h5H,1-4H2,(H3,8,10,12)(H2,9,11,13)
InChIKeyWQCUEFLIAAZDFA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.33
Rot. Bonds2

About 1-(carbamoylamino)-3-(cyclobutylmethyl)urea

1-(carbamoylamino)-3-(cyclobutylmethyl)urea (PubChem CID 130678370) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-(cyclobutylmethyl)urea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-(cyclobutylmethyl)urea
PubChem CID130678370
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name1-(carbamoylamino)-3-(cyclobutylmethyl)urea
SMILESNC(=O)NNC(=O)NCC1CCC1
InChIInChI=1S/C7H14N4O2/c8-6(12)10-11-7(13)9-4-5-2-1-3-5/h5H,1-4H2,(H3,8,10,12)(H2,9,11,13)
InChIKeyWQCUEFLIAAZDFA-UHFFFAOYSA-N
XLogP-0.33
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-(cyclobutylmethyl)urea?
The IUPAC name of 1-(carbamoylamino)-3-(cyclobutylmethyl)urea (CID 130678370) is 1-(carbamoylamino)-3-(cyclobutylmethyl)urea.
What is the SMILES notation for 1-(carbamoylamino)-3-(cyclobutylmethyl)urea?
The canonical SMILES for 1-(carbamoylamino)-3-(cyclobutylmethyl)urea is NC(=O)NNC(=O)NCC1CCC1.
What is the InChIKey of 1-(carbamoylamino)-3-(cyclobutylmethyl)urea?
The InChIKey is WQCUEFLIAAZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-6(12)10-11-7(13)9-4-5-2-1-3-5/h5H,1-4H2,(H3,8,10,12)(H2,9,11,13).
What are the key properties of 1-(carbamoylamino)-3-(cyclobutylmethyl)urea?
1-(carbamoylamino)-3-(cyclobutylmethyl)urea has a molecular weight of 186.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-(cyclobutylmethyl)urea is sourced from PubChem (CID 130678370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).