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

C9H17N3O2 — CID 77051955

IUPAC3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
SMILESCC1(NC(=O)CC(N)=NO)CCCC1
InChIInChI=1S/C9H17N3O2/c1-9(4-2-3-5-9)11-8(13)6-7(10)12-14/h14H,2-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyBPJOYXKSIMXJCS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds3

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

3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide (PubChem CID 77051955) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
PubChem CID77051955
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
SMILESCC1(NC(=O)CC(N)=NO)CCCC1
InChIInChI=1S/C9H17N3O2/c1-9(4-2-3-5-9)11-8(13)6-7(10)12-14/h14H,2-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyBPJOYXKSIMXJCS-UHFFFAOYSA-N
XLogP0.57
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
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-methylcyclopentyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide (CID 77051955) is 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide is CC1(NC(=O)CC(N)=NO)CCCC1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide?
The InChIKey is BPJOYXKSIMXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(4-2-3-5-9)11-8(13)6-7(10)12-14/h14H,2-6H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide?
3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.57, 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-methylcyclopentyl)propanamide is sourced from PubChem (CID 77051955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).