2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate

C11H22N2O2 — CID 63263913

IUPAC2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
SMILESCNCC1CCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-11(14)13-5-4-10(7-13)6-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyDDZSGRKOWNCOQL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds4

About 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate

2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate (PubChem CID 63263913) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
PubChem CID63263913
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
SMILESCNCC1CCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-15-11(14)13-5-4-10(7-13)6-12-3/h9-10,12H,4-8H2,1-3H3
InChIKeyDDZSGRKOWNCOQL-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate (CID 63263913) is 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate is CNCC1CCN(C(=O)OCC(C)C)C1.
What is the InChIKey of 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is DDZSGRKOWNCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-15-11(14)13-5-4-10(7-13)6-12-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate?
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 63263913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).