(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide

C9H17N3O3 — CID 43611540

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide
SMILESCN(C(=O)C/C(N)=N/O)C1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-12(7-2-4-15-5-3-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyDGCRHMXLYITCLV-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.24
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide (PubChem CID 43611540) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide
PubChem CID43611540
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide
SMILESCN(C(=O)C/C(N)=N/O)C1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-12(7-2-4-15-5-3-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyDGCRHMXLYITCLV-UHFFFAOYSA-N
XLogP-0.24
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.24
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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Related Compounds

N'-hydroxy-3-(3-methylmorpholin-4-yl)-3-oxopropanimidamide
CID 43542531
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
CID 43571543
(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide
CID 43610523
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
3-(3-ethylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 43613611
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 55032108
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethoxy-N-propan-2-ylpropanamide
CID 55091887
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-yl-3-propoxypropanamide
CID 55103581
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-N-methyloxane-4-carboxamide
CID 55176279
(3Z)-3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 55225686
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 61217570
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(oxan-4-yl)butanamide
CID 61858802

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide (CID 43611540) is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide is CN(C(=O)C/C(N)=N/O)C1CCOCC1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide?
The InChIKey is DGCRHMXLYITCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-12(7-2-4-15-5-3-7)9(13)6-8(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(oxan-4-yl)propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.24, 3 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-methyl-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 43611540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).