[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

C12H14N2O6 — CID 2395291

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCC1
InChIInChI=1S/C12H14N2O6/c15-10(13-8-3-1-2-4-8)7-19-12(16)9-5-6-11(20-9)14(17)18/h5-6,8H,1-4,7H2,(H,13,15)
InChIKeyANNRPWFQQBUJOH-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.40
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (PubChem CID 2395291) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
PubChem CID2395291
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCC1
InChIInChI=1S/C12H14N2O6/c15-10(13-8-3-1-2-4-8)7-19-12(16)9-5-6-11(20-9)14(17)18/h5-6,8H,1-4,7H2,(H,13,15)
InChIKeyANNRPWFQQBUJOH-UHFFFAOYSA-N
XLogP1.40
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-5-nitrofuran-2-carboxamide
CID 694001
[2-Oxo-2-(3-phenylpropylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 2099057
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2351999
[2-(Cyclohexylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387307
[2-(4-Fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387351
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4433217
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 5072871
N-cyclohexyl-5-nitrofuran-2-carboxamide
CID 840339
Morpholine, 4-(5-nitro-2-furoyl)-
CID 2796391
2-Furancarboxylic acid, 5-nitro-, propyl ester
CID 29906
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2428699
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 4543344

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (CID 2395291) is [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The InChIKey is ANNRPWFQQBUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c15-10(13-8-3-1-2-4-8)7-19-12(16)9-5-6-11(20-9)14(17)18/h5-6,8H,1-4,7H2,(H,13,15).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate has a molecular weight of 282.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 2395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).