1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea

C7H14N4O2 — CID 115635300

IUPAC1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
SMILESNC(=O)NCCNC(=O)NC1CC1
InChIInChI=1S/C7H14N4O2/c8-6(12)9-3-4-10-7(13)11-5-1-2-5/h5H,1-4H2,(H3,8,9,12)(H2,10,11,13)
InChIKeyCLARDJFPHJMIIB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.88
Rot. Bonds4

About 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea

1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea (PubChem CID 115635300) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
PubChem CID115635300
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
SMILESNC(=O)NCCNC(=O)NC1CC1
InChIInChI=1S/C7H14N4O2/c8-6(12)9-3-4-10-7(13)11-5-1-2-5/h5H,1-4H2,(H3,8,9,12)(H2,10,11,13)
InChIKeyCLARDJFPHJMIIB-UHFFFAOYSA-N
XLogP-0.88
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-3-sulfanylidenepropyl)-3-cyclopropylurea
CID 62698544
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea (CID 115635300) is 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea is NC(=O)NCCNC(=O)NC1CC1.
What is the InChIKey of 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea?
The InChIKey is CLARDJFPHJMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-6(12)9-3-4-10-7(13)11-5-1-2-5/h5H,1-4H2,(H3,8,9,12)(H2,10,11,13).
What are the key properties of 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea?
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea has a molecular weight of 186.21 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea is sourced from PubChem (CID 115635300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).