1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea

C11H20N4O2 — CID 104892227

IUPAC1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
SMILESNC(CCN(C(=O)NC1CCC1)C1CC1)=NO
InChIInChI=1S/C11H20N4O2/c12-10(14-17)6-7-15(9-4-5-9)11(16)13-8-2-1-3-8/h8-9,17H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyGXRFRKIYRRTIEX-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.85
Rot. Bonds5

About 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea

1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea (PubChem CID 104892227) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
PubChem CID104892227
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
SMILESNC(CCN(C(=O)NC1CCC1)C1CC1)=NO
InChIInChI=1S/C11H20N4O2/c12-10(14-17)6-7-15(9-4-5-9)11(16)13-8-2-1-3-8/h8-9,17H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyGXRFRKIYRRTIEX-UHFFFAOYSA-N
XLogP0.85
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
CID 62415405
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyloxane-2-carboxamide
CID 76937461
3-[cyclopropyl-[(3-ethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 64742171
N-(3-amino-3-hydroxyiminopropyl)-N,2-dicyclopropylpropanamide
CID 83147861
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107182757

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea?
The IUPAC name of 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea (CID 104892227) is 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea.
What is the SMILES notation for 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea?
The canonical SMILES for 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea is NC(CCN(C(=O)NC1CCC1)C1CC1)=NO.
What is the InChIKey of 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea?
The InChIKey is GXRFRKIYRRTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-10(14-17)6-7-15(9-4-5-9)11(16)13-8-2-1-3-8/h8-9,17H,1-7H2,(H2,12,14)(H,13,16).
What are the key properties of 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea?
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea has a molecular weight of 240.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea is sourced from PubChem (CID 104892227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).