3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide

C5H10N4O2 — CID 173379408

IUPAC3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)C(=NO)C(=O)NC
InChIInChI=1S/C5H10N4O2/c1-7-4(6)3(9-11)5(10)8-2/h11H,1-2H3,(H2,6,7)(H,8,10)
InChIKeyWHFCMFUOQDJDEG-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.45
Rot. Bonds2

About 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide

3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide (PubChem CID 173379408) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide.

Molecular Properties

Compound Name3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide
PubChem CID173379408
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide
SMILESC/N=C(\N)C(=NO)C(=O)NC
InChIInChI=1S/C5H10N4O2/c1-7-4(6)3(9-11)5(10)8-2/h11H,1-2H3,(H2,6,7)(H,8,10)
InChIKeyWHFCMFUOQDJDEG-UHFFFAOYSA-N
XLogP-1.45
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.45
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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Related Compounds

N,N'-di((113C)methyl)oxamide
CID 169438737
ethane;N'-methyloxamide
CID 176938398
(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
CID 143093080
hydrazine;methylurea
CID 158581810
methylurea;ruthenium
CID 159209634
methylurea;hydrate
CID 141425619
1,2-dimethylguanidine;methanamine
CID 159210195
N-acetyl-2-methyliminopropanediamide
CID 170037061
[(E)-[1-amino-2-(methylamino)-2-oxoethylidene]amino] ethyl carbonate
CID 125114597
2-amino-N-[2-(dimethylamino)ethyl]-2-methyliminoacetamide
CID 143976679
(2E)-2-hydrazinylidene-N-methyl-3-methyliminopropanamide
CID 168913138
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
CID 162732474

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide?
The IUPAC name of 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide (CID 173379408) is 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide.
What is the SMILES notation for 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide?
The canonical SMILES for 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide is C/N=C(\N)C(=NO)C(=O)NC.
What is the InChIKey of 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide?
The InChIKey is WHFCMFUOQDJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-7-4(6)3(9-11)5(10)8-2/h11H,1-2H3,(H2,6,7)(H,8,10).
What are the key properties of 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide?
3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide has a molecular weight of 158.16 g/mol, XLogP of -1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxyimino-N-methyl-3-methyliminopropanamide is sourced from PubChem (CID 173379408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).