(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide

C7H14N4O3 — CID 43374368

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CN(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C7H14N4O3/c1-9-6(12)4-11(2)7(13)3-5(8)10-14/h14H,3-4H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyJZQVBEYFYXTWHG-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.67
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 43374368) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID43374368
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CN(C)C(=O)C/C(N)=N/O
InChIInChI=1S/C7H14N4O3/c1-9-6(12)4-11(2)7(13)3-5(8)10-14/h14H,3-4H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyJZQVBEYFYXTWHG-UHFFFAOYSA-N
XLogP-1.67
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.67
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-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 43374368) is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)CN(C)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is JZQVBEYFYXTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-9-6(12)4-11(2)7(13)3-5(8)10-14/h14H,3-4H2,1-2H3,(H2,8,10)(H,9,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 202.21 g/mol, XLogP of -1.67, 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-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 43374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).