5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide

C9H18N4O3 — CID 106240183

IUPAC5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
SMILESCC(C(=O)NCCCCC(N)=O)C(N)=NO
InChIInChI=1S/C9H18N4O3/c1-6(8(11)13-16)9(15)12-5-3-2-4-7(10)14/h6,16H,2-5H2,1H3,(H2,10,14)(H2,11,13)(H,12,15)
InChIKeyXLKYBCMFTOVFOK-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.86
Rot. Bonds7

About 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide

5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide (PubChem CID 106240183) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
PubChem CID106240183
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
SMILESCC(C(=O)NCCCCC(N)=O)C(N)=NO
InChIInChI=1S/C9H18N4O3/c1-6(8(11)13-16)9(15)12-5-3-2-4-7(10)14/h6,16H,2-5H2,1H3,(H2,10,14)(H2,11,13)(H,12,15)
InChIKeyXLKYBCMFTOVFOK-UHFFFAOYSA-N
XLogP-0.86
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide 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

3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
N-(5-amino-5-oxopentyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 106240194
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
5-(2-chloropropanoylcarbamoylamino)pentanamide
CID 106239873
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867
N-(4-amino-4-oxobutyl)-3-methyl-2-sulfanylbutanamide
CID 107023481
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5-methylhexyl)butanamide
CID 113287774

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide?
The IUPAC name of 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide (CID 106240183) is 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide.
What is the SMILES notation for 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide?
The canonical SMILES for 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide is CC(C(=O)NCCCCC(N)=O)C(N)=NO.
What is the InChIKey of 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide?
The InChIKey is XLKYBCMFTOVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-6(8(11)13-16)9(15)12-5-3-2-4-7(10)14/h6,16H,2-5H2,1H3,(H2,10,14)(H2,11,13)(H,12,15).
What are the key properties of 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide?
5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide has a molecular weight of 230.27 g/mol, XLogP of -0.86, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide is sourced from PubChem (CID 106240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).