(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane

C15H32N2O4 — CID 159126174

IUPAC(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
SMILESCC(C)C.COCCN(C)C(=O)OCC1CC(OC)CN1
InChIInChI=1S/C11H22N2O4.C4H10/c1-13(4-5-15-2)11(14)17-8-9-6-10(16-3)7-12-9;1-4(2)3/h9-10,12H,4-8H2,1-3H3;4H,1-3H3
InChIKeyKGHMVHPWVQPLKF-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.74
Rot. Bonds6

About (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane

(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane (PubChem CID 159126174) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
PubChem CID159126174
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
SMILESCC(C)C.COCCN(C)C(=O)OCC1CC(OC)CN1
InChIInChI=1S/C11H22N2O4.C4H10/c1-13(4-5-15-2)11(14)17-8-9-6-10(16-3)7-12-9;1-4(2)3/h9-10,12H,4-8H2,1-3H3;4H,1-3H3
InChIKeyKGHMVHPWVQPLKF-UHFFFAOYSA-N
XLogP1.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypyrrolidin-2-yl)methyl N-(2-iodooxyethyl)-N-methylcarbamate
CID 166471628
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 55002787
2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane?
The IUPAC name of (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane (CID 159126174) is (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane is CC(C)C.COCCN(C)C(=O)OCC1CC(OC)CN1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane?
The InChIKey is KGHMVHPWVQPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4.C4H10/c1-13(4-5-15-2)11(14)17-8-9-6-10(16-3)7-12-9;1-4(2)3/h9-10,12H,4-8H2,1-3H3;4H,1-3H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane?
(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane has a molecular weight of 304.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane is sourced from PubChem (CID 159126174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).