ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate

C11H22N2O2 — CID 62063969

IUPACethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)9(2)7-13-5-4-10(6-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyGUKCVVMNLYFPRE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.47
Rot. Bonds5

About ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate

ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate (PubChem CID 62063969) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
PubChem CID62063969
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCC(CN)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)9(2)7-13-5-4-10(6-12)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyGUKCVVMNLYFPRE-UHFFFAOYSA-N
XLogP0.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65250331
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methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
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1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
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[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
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ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
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CID 63165603

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate (CID 62063969) is ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate is CCOC(=O)C(C)CN1CCC(CN)C1.
What is the InChIKey of ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate?
The InChIKey is GUKCVVMNLYFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)9(2)7-13-5-4-10(6-12)8-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate?
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate has a molecular weight of 214.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 62063969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).