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

C15H18N2O5 — CID 2344675

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C15H18N2O5/c18-14(16-12-6-2-3-7-12)10-22-15(19)9-11-5-1-4-8-13(11)17(20)21/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,16,18)
InChIKeyPVDIUYKNSWDKTK-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.74
Rot. Bonds6

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

[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (PubChem CID 2344675) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
PubChem CID2344675
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C15H18N2O5/c18-14(16-12-6-2-3-7-12)10-22-15(19)9-11-5-1-4-8-13(11)17(20)21/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,16,18)
InChIKeyPVDIUYKNSWDKTK-UHFFFAOYSA-N
XLogP1.74
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (CID 2344675) is [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate is O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The InChIKey is PVDIUYKNSWDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-14(16-12-6-2-3-7-12)10-22-15(19)9-11-5-1-4-8-13(11)17(20)21/h1,4-5,8,12H,2-3,6-7,9-10H2,(H,16,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate has a molecular weight of 306.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 2344675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).