tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate

C12H24N2O3 — CID 119030894

IUPACtert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1(CN)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-6-12(14,8-13)9-16-4/h5-9,13H2,1-4H3
InChIKeyIRXUXKIPLKNYOK-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 119030894) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID119030894
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1(CN)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-6-12(14,8-13)9-16-4/h5-9,13H2,1-4H3
InChIKeyIRXUXKIPLKNYOK-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 25155771
tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66688039
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 131631787
(2S)-2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 125448977
1-O-tert-butyl 2-O-methyl 2-sulfanylpyrrolidine-1,2-dicarboxylate
CID 150937032
tert-butyl 2-ethyl-2-formylpyrrolidine-1-carboxylate
CID 130067790
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl 2-formyl-2-(2-oxoethyl)pyrrolidine-1-carboxylate
CID 143508321
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 119030894) is tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1(CN)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is IRXUXKIPLKNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-6-12(14,8-13)9-16-4/h5-9,13H2,1-4H3.
What are the key properties of tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 119030894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).