butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

C15H27NO3 — CID 91692221

IUPACbutyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-11-19-15(18)12-16(2)14(17)10-9-13-7-5-6-8-13/h13H,3-12H2,1-2H3
InChIKeyQILYZJOTHHUBBY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds8

About butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (PubChem CID 91692221) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
PubChem CID91692221
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namebutyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-11-19-15(18)12-16(2)14(17)10-9-13-7-5-6-8-13/h13H,3-12H2,1-2H3
InChIKeyQILYZJOTHHUBBY-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl 2-[3-cyclopentylpropanoyl(methyl)amino]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 butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The IUPAC name of butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (CID 91692221) is butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.
What is the SMILES notation for butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The canonical SMILES for butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)CCC1CCCC1.
What is the InChIKey of butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The InChIKey is QILYZJOTHHUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-11-19-15(18)12-16(2)14(17)10-9-13-7-5-6-8-13/h13H,3-12H2,1-2H3.
What are the key properties of butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is sourced from PubChem (CID 91692221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).