N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide

C9H18N4O3 — CID 76928581

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC(C)(C)C(N)=O)C(N)=NO
InChIInChI=1S/C9H18N4O3/c1-4-5(6(10)13-16)7(14)12-9(2,3)8(11)15/h5,16H,4H2,1-3H3,(H2,10,13)(H2,11,15)(H,12,14)
InChIKeyJAQKTNAIKUJGRH-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.86
Rot. Bonds5

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76928581) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76928581
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C(=O)NC(C)(C)C(N)=O)C(N)=NO
InChIInChI=1S/C9H18N4O3/c1-4-5(6(10)13-16)7(14)12-9(2,3)8(11)15/h5,16H,4H2,1-3H3,(H2,10,13)(H2,11,15)(H,12,14)
InChIKeyJAQKTNAIKUJGRH-UHFFFAOYSA-N
XLogP-0.86
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
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'}

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924799
2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-[2-(2,2-difluoroethoxy)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114128850
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
CID 76925140
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 55097504
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76928581) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C(=O)NC(C)(C)C(N)=O)C(N)=NO.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is JAQKTNAIKUJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-4-5(6(10)13-16)7(14)12-9(2,3)8(11)15/h5,16H,4H2,1-3H3,(H2,10,13)(H2,11,15)(H,12,14).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 230.27 g/mol, XLogP of -0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).