N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide

C8H16N4O3 — CID 76926674

IUPACN-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
SMILESCCC(C(=O)N(C)CC(N)=O)C(N)=NO
InChIInChI=1S/C8H16N4O3/c1-3-5(7(10)11-15)8(14)12(2)4-6(9)13/h5,15H,3-4H2,1-2H3,(H2,9,13)(H2,10,11)
InChIKeyUEKHSRGNFFTDAG-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.30
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide

N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide (PubChem CID 76926674) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
PubChem CID76926674
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC NameN-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
SMILESCCC(C(=O)N(C)CC(N)=O)C(N)=NO
InChIInChI=1S/C8H16N4O3/c1-3-5(7(10)11-15)8(14)12(2)4-6(9)13/h5,15H,3-4H2,1-2H3,(H2,9,13)(H2,10,11)
InChIKeyUEKHSRGNFFTDAG-UHFFFAOYSA-N
XLogP-1.30
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.30
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

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
3-amino-N-(2-amino-2-oxoethyl)-2-benzyl-3-hydroxyimino-N-methylpropanamide
CID 76926817
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76925666
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102995709
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009567
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 76924822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide (CID 76926674) is N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide is CCC(C(=O)N(C)CC(N)=O)C(N)=NO.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The InChIKey is UEKHSRGNFFTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-3-5(7(10)11-15)8(14)12(2)4-6(9)13/h5,15H,3-4H2,1-2H3,(H2,9,13)(H2,10,11).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide has a molecular weight of 216.24 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide is sourced from PubChem (CID 76926674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).