3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide

C11H21N3O3 — CID 76912173

IUPAC3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CC(N)=NO)C(C)C1CC1
InChIInChI=1S/C11H21N3O3/c1-8(9-3-4-9)14(5-6-17-2)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVKWZKFSGDANALL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.40
Rot. Bonds7

About 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide

3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide (PubChem CID 76912173) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide
PubChem CID76912173
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CC(N)=NO)C(C)C1CC1
InChIInChI=1S/C11H21N3O3/c1-8(9-3-4-9)14(5-6-17-2)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyVKWZKFSGDANALL-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide (CID 76912173) is 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide is COCCN(C(=O)CC(N)=NO)C(C)C1CC1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The InChIKey is VKWZKFSGDANALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(9-3-4-9)14(5-6-17-2)11(15)7-10(12)13-16/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 76912173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).