1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea

C8H16N4O2 — CID 76954547

IUPAC1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
SMILESCCC(NC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-2-6(7(9)12-14)11-8(13)10-5-3-4-5/h5-6,14H,2-4H2,1H3,(H2,9,12)(H2,10,11,13)
InChIKeyFLMHTPVQMAWXSY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.03
Rot. Bonds4

About 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea

1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea (PubChem CID 76954547) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
PubChem CID76954547
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
SMILESCCC(NC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C8H16N4O2/c1-2-6(7(9)12-14)11-8(13)10-5-3-4-5/h5-6,14H,2-4H2,1H3,(H2,9,12)(H2,10,11,13)
InChIKeyFLMHTPVQMAWXSY-UHFFFAOYSA-N
XLogP-0.03
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
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'}

Analyze 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(thian-4-yl)acetamide
CID 83136385
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
1-butan-2-yl-3-cyclopropylurea
CID 45366532
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
N-(1-amino-1-hydroxyiminobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104521741
N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
CID 76953566
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea?
The IUPAC name of 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea (CID 76954547) is 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea.
What is the SMILES notation for 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea?
The canonical SMILES for 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea is CCC(NC(=O)NC1CC1)C(N)=NO.
What is the InChIKey of 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea?
The InChIKey is FLMHTPVQMAWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-6(7(9)12-14)11-8(13)10-5-3-4-5/h5-6,14H,2-4H2,1H3,(H2,9,12)(H2,10,11,13).
What are the key properties of 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea?
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea has a molecular weight of 200.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea is sourced from PubChem (CID 76954547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).