[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate

C15H18N2O6 — CID 2570272

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C15H18N2O6/c18-14(16-11-5-1-2-6-11)9-23-15(19)10-22-13-8-4-3-7-12(13)17(20)21/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeySISPYVNYLVBWPA-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.58
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate (PubChem CID 2570272) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
PubChem CID2570272
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C15H18N2O6/c18-14(16-11-5-1-2-6-11)9-23-15(19)10-22-13-8-4-3-7-12(13)17(20)21/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeySISPYVNYLVBWPA-UHFFFAOYSA-N
XLogP1.58
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.58
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-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
2-(4-chloro-2-nitrophenoxy)-N-cyclohexylacetamide
CID 973131
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
N-[2-(4-methyl-2-nitrophenoxy)ethyl]-2-butanamine oxalate
CID 2935425
N-allyl-N-[2-(2-nitrophenoxy)ethyl]-2-propen-1-amine oxalate
CID 2944635
(S)-2-(4-nitrophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 44581741
1-[2-(5-Fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 2572376
1-(Cyclopentylamino)-3-(2-nitrophenoxy)-2-propanol hydrochloride
CID 2969198

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate (CID 2570272) is [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate is O=C(COC(=O)COc1ccccc1[N+](=O)[O-])NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The InChIKey is SISPYVNYLVBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c18-14(16-11-5-1-2-6-11)9-23-15(19)10-22-13-8-4-3-7-12(13)17(20)21/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate has a molecular weight of 322.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 2570272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).