N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide

C9H17N3O3 — CID 77057681

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
SMILESCC(NC(=O)CC1CCCO1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-6(9(10)12-14)11-8(13)5-7-3-2-4-15-7/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyILVJMRVAPIGHDZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.19
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 77057681) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
PubChem CID77057681
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
SMILESCC(NC(=O)CC1CCCO1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-6(9(10)12-14)11-8(13)5-7-3-2-4-15-7/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyILVJMRVAPIGHDZ-UHFFFAOYSA-N
XLogP-0.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.19
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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide 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-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
CID 80706794
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
CID 96524082
[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide (CID 77057681) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide is CC(NC(=O)CC1CCCO1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is ILVJMRVAPIGHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(9(10)12-14)11-8(13)5-7-3-2-4-15-7/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 77057681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).