(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide

C8H17N3O3 — CID 61455705

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)N(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-6(5-14-3)11(2)8(12)4-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyIAFSVTNVBAVNTK-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.38
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide (PubChem CID 61455705) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide
PubChem CID61455705
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)N(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-6(5-14-3)11(2)8(12)4-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyIAFSVTNVBAVNTK-UHFFFAOYSA-N
XLogP-0.38
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.38
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 (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide (CID 61455705) is (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide is COCC(C)N(C)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
The InChIKey is IAFSVTNVBAVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(5-14-3)11(2)8(12)4-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 61455705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).