3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide

C7H13N3O2 — CID 104865818

IUPAC3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
SMILESCC1(NC(=O)CC(N)=NO)CC1
InChIInChI=1S/C7H13N3O2/c1-7(2-3-7)9-6(11)4-5(8)10-12/h12H,2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyBIGOXZVGGXMFQJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide

3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide (PubChem CID 104865818) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
PubChem CID104865818
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide
SMILESCC1(NC(=O)CC(N)=NO)CC1
InChIInChI=1S/C7H13N3O2/c1-7(2-3-7)9-6(11)4-5(8)10-12/h12H,2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyBIGOXZVGGXMFQJ-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide (CID 104865818) is 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide is CC1(NC(=O)CC(N)=NO)CC1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide?
The InChIKey is BIGOXZVGGXMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(2-3-7)9-6(11)4-5(8)10-12/h12H,2-4H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide?
3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide 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 3-amino-3-hydroxyimino-N-(1-methylcyclopropyl)propanamide is sourced from PubChem (CID 104865818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).