methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride

C10H21ClN2O2 — CID 164888555

IUPACmethyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CN1CCC(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14-3)7-12-5-4-8(11)6-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyZFIBUACJSMUKGT-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.64
Rot. Bonds3

About methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride

methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride (PubChem CID 164888555) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
PubChem CID164888555
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Namemethyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)CN1CCC(N)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14-3)7-12-5-4-8(11)6-12;/h8H,4-7,11H2,1-3H3;1H
InChIKeyZFIBUACJSMUKGT-UHFFFAOYSA-N
XLogP0.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride?
The IUPAC name of methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride (CID 164888555) is methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride is COC(=O)C(C)(C)CN1CCC(N)C1.Cl.
What is the InChIKey of methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride?
The InChIKey is ZFIBUACJSMUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,9(13)14-3)7-12-5-4-8(11)6-12;/h8H,4-7,11H2,1-3H3;1H.
What are the key properties of methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride?
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride is sourced from PubChem (CID 164888555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).