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

C8H15N3O3 — CID 43610523

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide
SMILESN/C(CC(=O)NC1CCOCC1)=N\O
InChIInChI=1S/C8H15N3O3/c9-7(11-13)5-8(12)10-6-1-3-14-4-2-6/h6,13H,1-5H2,(H2,9,11)(H,10,12)
InChIKeyAWOSWQLMBBIKGY-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.58
Rot. Bonds3

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

(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide (PubChem CID 43610523) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide
PubChem CID43610523
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide
SMILESN/C(CC(=O)NC1CCOCC1)=N\O
InChIInChI=1S/C8H15N3O3/c9-7(11-13)5-8(12)10-6-1-3-14-4-2-6/h6,13H,1-5H2,(H2,9,11)(H,10,12)
InChIKeyAWOSWQLMBBIKGY-UHFFFAOYSA-N
XLogP-0.58
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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-(oxan-4-yl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide (CID 43610523) is (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide is N/C(CC(=O)NC1CCOCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide?
The InChIKey is AWOSWQLMBBIKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-7(11-13)5-8(12)10-6-1-3-14-4-2-6/h6,13H,1-5H2,(H2,9,11)(H,10,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide has a molecular weight of 201.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 43610523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).