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

C9H13N3O3 — CID 76934841

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide
SMILESCC(CC(N)=NO)NC(=O)c1ccco1
InChIInChI=1S/C9H13N3O3/c1-6(5-8(10)12-14)11-9(13)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyLFQMIZZIAQFBTI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.53
Rot. Bonds4

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

N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide (PubChem CID 76934841) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide
PubChem CID76934841
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide
SMILESCC(CC(N)=NO)NC(=O)c1ccco1
InChIInChI=1S/C9H13N3O3/c1-6(5-8(10)12-14)11-9(13)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyLFQMIZZIAQFBTI-UHFFFAOYSA-N
XLogP0.53
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.53
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

N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,6-trifluorobenzamide
CID 77056022
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide (CID 76934841) is N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide is CC(CC(N)=NO)NC(=O)c1ccco1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide?
The InChIKey is LFQMIZZIAQFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(5-8(10)12-14)11-9(13)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.53, 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)furan-2-carboxamide is sourced from PubChem (CID 76934841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).