1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea

C10H20N4O2 — CID 76911724

IUPAC1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C10H20N4O2/c1-7(2)12-10(15)14(8-3-4-8)6-5-9(11)13-16/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyCMRZZTMDOJFJRX-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.71
Rot. Bonds5

About 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea

1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea (PubChem CID 76911724) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
PubChem CID76911724
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(CCC(N)=NO)C1CC1
InChIInChI=1S/C10H20N4O2/c1-7(2)12-10(15)14(8-3-4-8)6-5-9(11)13-16/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyCMRZZTMDOJFJRX-UHFFFAOYSA-N
XLogP0.71
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.71
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'}

Analyze 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea?
The IUPAC name of 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea (CID 76911724) is 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea?
The canonical SMILES for 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea is CC(C)NC(=O)N(CCC(N)=NO)C1CC1.
What is the InChIKey of 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea?
The InChIKey is CMRZZTMDOJFJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(2)12-10(15)14(8-3-4-8)6-5-9(11)13-16/h7-8,16H,3-6H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of 1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea?
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea has a molecular weight of 228.30 g/mol, XLogP of 0.71, 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)-1-cyclopropyl-3-propan-2-ylurea is sourced from PubChem (CID 76911724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).