methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate

C8H16N2O3 — CID 83907150

IUPACmethyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN)(OC)C1
InChIInChI=1S/C8H16N2O3/c1-12-7(11)10-4-3-8(5-9,6-10)13-2/h3-6,9H2,1-2H3
InChIKeyBOCXOSQUTHAAOT-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.20
Rot. Bonds2

About methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate

methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate (PubChem CID 83907150) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
PubChem CID83907150
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN)(OC)C1
InChIInChI=1S/C8H16N2O3/c1-12-7(11)10-4-3-8(5-9,6-10)13-2/h3-6,9H2,1-2H3
InChIKeyBOCXOSQUTHAAOT-UHFFFAOYSA-N
XLogP-0.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 84668362
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
(4-methoxy-1-methylsulfonylpiperidin-4-yl)methanamine
CID 130519310
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
(1-methoxycyclobutyl)methanamine
CID 66072375
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate (CID 83907150) is methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate is COC(=O)N1CCC(CN)(OC)C1.
What is the InChIKey of methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate?
The InChIKey is BOCXOSQUTHAAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-7(11)10-4-3-8(5-9,6-10)13-2/h3-6,9H2,1-2H3.
What are the key properties of methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate?
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate has a molecular weight of 188.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 83907150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).