(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide

C7H13N3O2 — CID 62415405

IUPAC(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NC1CCC1)=N\O
InChIInChI=1S/C7H13N3O2/c8-6(10-12)4-7(11)9-5-2-1-3-5/h5,12H,1-4H2,(H2,8,10)(H,9,11)
InChIKeyZNVPAZOHXPPELJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.21
Rot. Bonds3

About (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide

(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide (PubChem CID 62415405) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
PubChem CID62415405
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NC1CCC1)=N\O
InChIInChI=1S/C7H13N3O2/c8-6(10-12)4-7(11)9-5-2-1-3-5/h5,12H,1-4H2,(H2,8,10)(H,9,11)
InChIKeyZNVPAZOHXPPELJ-UHFFFAOYSA-N
XLogP-0.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.21
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

(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
CID 43156049
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
N'-cyclopentylpropanediamide
CID 126996415
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
1-(3-amino-3-hydroxyiminopropyl)-3-cyclobutyl-1-cyclopropylurea
CID 104892227
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
CID 43333100
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide (CID 62415405) is (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide is N/C(CC(=O)NC1CCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide?
The InChIKey is ZNVPAZOHXPPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(10-12)4-7(11)9-5-2-1-3-5/h5,12H,1-4H2,(H2,8,10)(H,9,11).
What are the key properties of (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide has a molecular weight of 171.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 62415405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).