methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate

C9H13NO4 — CID 115279422

IUPACmethyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
SMILESCCONCc1ccc(C(=O)OC)o1
InChIInChI=1S/C9H13NO4/c1-3-13-10-6-7-4-5-8(14-7)9(11)12-2/h4-5,10H,3,6H2,1-2H3
InChIKeyXWPHPCMLJLTNOK-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.11
Rot. Bonds5

About methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate

methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate (PubChem CID 115279422) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
PubChem CID115279422
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
SMILESCCONCc1ccc(C(=O)OC)o1
InChIInChI=1S/C9H13NO4/c1-3-13-10-6-7-4-5-8(14-7)9(11)12-2/h4-5,10H,3,6H2,1-2H3
InChIKeyXWPHPCMLJLTNOK-UHFFFAOYSA-N
XLogP1.11
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]furan-2-carboxylate
CID 43424921
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
methyl 5-[(2-fluoroprop-2-enoylamino)methyl]furan-2-carboxylate
CID 167803726
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate (CID 115279422) is methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate is CCONCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate?
The InChIKey is XWPHPCMLJLTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-13-10-6-7-4-5-8(14-7)9(11)12-2/h4-5,10H,3,6H2,1-2H3.
What are the key properties of methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate?
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 115279422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).