methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate

C12H23NO2 — CID 75484333

IUPACmethyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-12(2,3)11(14)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyJGCUQQWTFCIAMA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

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

methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate (PubChem CID 75484333) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate
PubChem CID75484333
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate
SMILESCOC(=O)C(C)(C)CNC1CCC(C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-12(2,3)11(14)15-4/h9-10,13H,5-8H2,1-4H3
InChIKeyJGCUQQWTFCIAMA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate (CID 75484333) is methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate is COC(=O)C(C)(C)CNC1CCC(C)C1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate?
The InChIKey is JGCUQQWTFCIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-12(2,3)11(14)15-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate?
methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(3-methylcyclopentyl)amino]propanoate is sourced from PubChem (CID 75484333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).