1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea

C11H24N4O2 — CID 54996771

IUPAC1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea
SMILESCC(C)N(CC/C(N)=N/O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)15(7-6-9(12)14-17)10(16)13-11(3,4)5/h8,17H,6-7H2,1-5H3,(H2,12,14)(H,13,16)
InChIKeyIGLZMQJJHVQCNT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.34
Rot. Bonds4

About 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea

1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea (PubChem CID 54996771) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea
PubChem CID54996771
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea
SMILESCC(C)N(CC/C(N)=N/O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N4O2/c1-8(2)15(7-6-9(12)14-17)10(16)13-11(3,4)5/h8,17H,6-7H2,1-5H3,(H2,12,14)(H,13,16)
InChIKeyIGLZMQJJHVQCNT-UHFFFAOYSA-N
XLogP1.34
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.34
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-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 104858943
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-ethylurea
CID 54988616
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea
CID 54988715
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-propan-2-ylurea
CID 54996772
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-cyclopropylurea
CID 54997787
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea
CID 54997788
1-(3-Amino-3-iminopropyl)-1,3-di(propan-2-yl)urea
CID 64402901
1-(3-Amino-3-iminopropyl)-3-ethyl-1-propan-2-ylurea
CID 64402902
1-(3-Amino-3-iminopropyl)-3-tert-butyl-1-ethylurea
CID 64403105
1-(3-Amino-3-iminopropyl)-3-tert-butyl-1-cyclopropylurea
CID 64404112
1-(3-Amino-3-iminopropyl)-3-tert-butyl-1-(2-methylpropyl)urea
CID 64404122

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea?
The IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea (CID 54996771) is 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea.
What is the SMILES notation for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea?
The canonical SMILES for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea is CC(C)N(CC/C(N)=N/O)C(=O)NC(C)(C)C.
What is the InChIKey of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea?
The InChIKey is IGLZMQJJHVQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(2)15(7-6-9(12)14-17)10(16)13-11(3,4)5/h8,17H,6-7H2,1-5H3,(H2,12,14)(H,13,16).
What are the key properties of 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea?
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea has a molecular weight of 244.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea is sourced from PubChem (CID 54996771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).