N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide

C9H17N3O3 — CID 76934587

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
SMILESCC(CC(N)=NO)NC(=O)C1CCCO1
InChIInChI=1S/C9H17N3O3/c1-6(5-8(10)12-14)11-9(13)7-3-2-4-15-7/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyMQLIXJIJVPQRGM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.19
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide (PubChem CID 76934587) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
PubChem CID76934587
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
SMILESCC(CC(N)=NO)NC(=O)C1CCCO1
InChIInChI=1S/C9H17N3O3/c1-6(5-8(10)12-14)11-9(13)7-3-2-4-15-7/h6-7,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyMQLIXJIJVPQRGM-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'}

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Related Compounds

(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
N-(6-methylheptan-2-yl)oxolane-2-carboxamide
CID 3653544
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
N-(1-amino-1-hydroxyiminobutan-2-yl)oxane-2-carboxamide
CID 76937420
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide (CID 76934587) is N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide is CC(CC(N)=NO)NC(=O)C1CCCO1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide?
The InChIKey is MQLIXJIJVPQRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(5-8(10)12-14)11-9(13)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-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide 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-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 76934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).