[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium

C14H21N2O6+ — CID 9038677

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C14H20N2O6/c1-4-16(9-12(17)15-14(19)21-5-2)8-10-6-7-11(22-10)13(18)20-3/h6-7H,4-5,8-9H2,1-3H3,(H,15,17,19)/p+1
InChIKeyPXPAAILRXYEIER-UHFFFAOYSA-O
MW313.33 g/mol
LogP-0.26
Rot. Bonds7

About [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium (PubChem CID 9038677) has the molecular formula C14H21N2O6+ and a molecular weight of 313.33 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium
PubChem CID9038677
Molecular FormulaC14H21N2O6+
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C14H20N2O6/c1-4-16(9-12(17)15-14(19)21-5-2)8-10-6-7-11(22-10)13(18)20-3/h6-7H,4-5,8-9H2,1-3H3,(H,15,17,19)/p+1
InChIKeyPXPAAILRXYEIER-UHFFFAOYSA-O
XLogP-0.26
TPSA99.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl-bis(prop-2-enyl)azanium
CID 3797083
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8905548
[2-(4-butylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8905371
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8905305
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8905347
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8905068
[2-(ethoxycarbonylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198856

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium (CID 9038677) is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium is CCOC(=O)NC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium?
The InChIKey is PXPAAILRXYEIER-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O6/c1-4-16(9-12(17)15-14(19)21-5-2)8-10-6-7-11(22-10)13(18)20-3/h6-7H,4-5,8-9H2,1-3H3,(H,15,17,19)/p+1.
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium?
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium has a molecular weight of 313.33 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 9038677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).