methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate

C11H21NO2 — CID 80705486

IUPACmethyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
SMILESCOC(=O)C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-8(10(13)14-4)12-9-5-6-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3
InChIKeyBVDPTJLGISXYAH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate

methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate (PubChem CID 80705486) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
PubChem CID80705486
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
SMILESCOC(=O)C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-8(10(13)14-4)12-9-5-6-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3
InChIKeyBVDPTJLGISXYAH-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate?
The IUPAC name of methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate (CID 80705486) is methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate is COC(=O)C(C)NC1CCC(C)(C)C1.
What is the InChIKey of methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate?
The InChIKey is BVDPTJLGISXYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(10(13)14-4)12-9-5-6-11(2,3)7-9/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate?
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate is sourced from PubChem (CID 80705486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).