N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide

C9H19N3O3 — CID 76911488

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C9H19N3O3/c1-7(2)12(9(13)6-15-3)5-4-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYXIXMVXZXUIFPV-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.01
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide (PubChem CID 76911488) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide
PubChem CID76911488
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide
SMILESCOCC(=O)N(CCC(N)=NO)C(C)C
InChIInChI=1S/C9H19N3O3/c1-7(2)12(9(13)6-15-3)5-4-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYXIXMVXZXUIFPV-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.01
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 N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide (CID 76911488) is N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide is COCC(=O)N(CCC(N)=NO)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide?
The InChIKey is YXIXMVXZXUIFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(2)12(9(13)6-15-3)5-4-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide has a molecular weight of 217.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 76911488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).