trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide

C11H20N2O3 — CID 97251779

IUPACtrans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCCOCC(=O)N[C@H]1CCC[C@@H]1C(=O)NC
InChIInChI=1S/C11H20N2O3/c1-3-16-7-10(14)13-9-6-4-5-8(9)11(15)12-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyIDINBMWIDAXFRF-IUCAKERBSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds5

About trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide

trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 97251779) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
PubChem CID97251779
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametrans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCCOCC(=O)N[C@H]1CCC[C@@H]1C(=O)NC
InChIInChI=1S/C11H20N2O3/c1-3-16-7-10(14)13-9-6-4-5-8(9)11(15)12-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1
InChIKeyIDINBMWIDAXFRF-IUCAKERBSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide 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 trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide (CID 97251779) is trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide is CCOCC(=O)N[C@H]1CCC[C@@H]1C(=O)NC.
What is the InChIKey of trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is IDINBMWIDAXFRF-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-7-10(14)13-9-6-4-5-8(9)11(15)12-2/h8-9H,3-7H2,1-2H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide?
trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 97251779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).