(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea

C6H12N4O2 — CID 77038333

IUPAC(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
SMILESNC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H12N4O2/c7-5(10-12)4(3-1-2-3)9-6(8)11/h3-4,12H,1-2H2,(H2,7,10)(H3,8,9,11)
InChIKeyKLZSZMVTBMZZBE-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.82
Rot. Bonds3

About (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea

(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea (PubChem CID 77038333) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea.

Molecular Properties

Compound Name(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
PubChem CID77038333
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
SMILESNC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C6H12N4O2/c7-5(10-12)4(3-1-2-3)9-6(8)11/h3-4,12H,1-2H2,(H2,7,10)(H3,8,9,11)
InChIKeyKLZSZMVTBMZZBE-UHFFFAOYSA-N
XLogP-0.82
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.82
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'}

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Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
CID 77039367
phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
CID 77038404
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
CID 77038709
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057586

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea?
The IUPAC name of (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea (CID 77038333) is (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea.
What is the SMILES notation for (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea?
The canonical SMILES for (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea is NC(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea?
The InChIKey is KLZSZMVTBMZZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-5(10-12)4(3-1-2-3)9-6(8)11/h3-4,12H,1-2H2,(H2,7,10)(H3,8,9,11).
What are the key properties of (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea?
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea has a molecular weight of 172.19 g/mol, XLogP of -0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea is sourced from PubChem (CID 77038333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).