(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide

C9H17N3O3 — CID 43534012

IUPAC(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C/C(N)=N/O)C1CCCO1
InChIInChI=1S/C9H17N3O3/c1-6(7-3-2-4-15-7)11-9(13)5-8(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyCAHFQNGPUKXOKO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.19
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide

(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 43534012) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID43534012
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C/C(N)=N/O)C1CCCO1
InChIInChI=1S/C9H17N3O3/c1-6(7-3-2-4-15-7)11-9(13)5-8(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyCAHFQNGPUKXOKO-UHFFFAOYSA-N
XLogP-0.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.19
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-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 43534012) is (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide is CC(NC(=O)C/C(N)=N/O)C1CCCO1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is CAHFQNGPUKXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(7-3-2-4-15-7)11-9(13)5-8(10)12-14/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.19, 4 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-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 43534012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).