(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide

C4H9N3O2 — CID 43155974

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide
SMILESCNC(=O)C/C(N)=N/O
InChIInChI=1S/C4H9N3O2/c1-6-4(8)2-3(5)7-9/h9H,2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyRDMCKSRVDHXJCG-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.13
Rot. Bonds2

About (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide (PubChem CID 43155974) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide
PubChem CID43155974
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide
SMILESCNC(=O)C/C(N)=N/O
InChIInChI=1S/C4H9N3O2/c1-6-4(8)2-3(5)7-9/h9H,2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyRDMCKSRVDHXJCG-UHFFFAOYSA-N
XLogP-1.13
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide (CID 43155974) is (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide is CNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide?
The InChIKey is RDMCKSRVDHXJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-6-4(8)2-3(5)7-9/h9H,2H2,1H3,(H2,5,7)(H,6,8).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-methylpropanamide has a molecular weight of 131.13 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-methylpropanamide is sourced from PubChem (CID 43155974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).