ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate

C12H23NO2 — CID 79860203

IUPACethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)9(2)13-10-7-6-8-12(10,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyZJVRBFJVULIBKX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate

ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate (PubChem CID 79860203) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate
PubChem CID79860203
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC1(C)C
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)9(2)13-10-7-6-8-12(10,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyZJVRBFJVULIBKX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate 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 ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate (CID 79860203) is ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate is CCOC(=O)C(C)NC1CCCC1(C)C.
What is the InChIKey of ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate?
The InChIKey is ZJVRBFJVULIBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-15-11(14)9(2)13-10-7-6-8-12(10,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate?
ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate is sourced from PubChem (CID 79860203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).