(furan-3-carbonylamino) 2,2-dimethylpropanoate

C10H13NO4 — CID 170986081

IUPAC(furan-3-carbonylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1ccoc1
InChIInChI=1S/C10H13NO4/c1-10(2,3)9(13)15-11-8(12)7-4-5-14-6-7/h4-6H,1-3H3,(H,11,12)
InChIKeyHPGLICKNQXHRBO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.51
Rot. Bonds1

About (furan-3-carbonylamino) 2,2-dimethylpropanoate

(furan-3-carbonylamino) 2,2-dimethylpropanoate (PubChem CID 170986081) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (furan-3-carbonylamino) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(furan-3-carbonylamino) 2,2-dimethylpropanoate
PubChem CID170986081
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(furan-3-carbonylamino) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC(=O)c1ccoc1
InChIInChI=1S/C10H13NO4/c1-10(2,3)9(13)15-11-8(12)7-4-5-14-6-7/h4-6H,1-3H3,(H,11,12)
InChIKeyHPGLICKNQXHRBO-UHFFFAOYSA-N
XLogP1.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxyfuran-3-carboxamide
CID 60701103
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
N-carbamoylfuran-3-carboxamide
CID 54444166
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
N-chlorofuran-3-carboxamide
CID 144607311
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
1-(furan-3-yl)-2-hydroxy-2-methylpropan-1-one
CID 15504484
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387

Frequently Asked Questions

What is the IUPAC name of (furan-3-carbonylamino) 2,2-dimethylpropanoate?
The IUPAC name of (furan-3-carbonylamino) 2,2-dimethylpropanoate (CID 170986081) is (furan-3-carbonylamino) 2,2-dimethylpropanoate.
What is the SMILES notation for (furan-3-carbonylamino) 2,2-dimethylpropanoate?
The canonical SMILES for (furan-3-carbonylamino) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC(=O)c1ccoc1.
What is the InChIKey of (furan-3-carbonylamino) 2,2-dimethylpropanoate?
The InChIKey is HPGLICKNQXHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(2,3)9(13)15-11-8(12)7-4-5-14-6-7/h4-6H,1-3H3,(H,11,12).
What are the key properties of (furan-3-carbonylamino) 2,2-dimethylpropanoate?
(furan-3-carbonylamino) 2,2-dimethylpropanoate has a molecular weight of 211.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (furan-3-carbonylamino) 2,2-dimethylpropanoate is sourced from PubChem (CID 170986081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).