methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate

C14H28N2O3 — CID 64583750

IUPACmethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)19-4)7-5-8-16-9-6-12(10-16)11-18-3/h12,15H,5-11H2,1-4H3
InChIKeyGKDDNMWCRFWARA-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.89
Rot. Bonds8

About methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate

methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate (PubChem CID 64583750) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
PubChem CID64583750
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CCCN1CCC(COC)C1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)19-4)7-5-8-16-9-6-12(10-16)11-18-3/h12,15H,5-11H2,1-4H3
InChIKeyGKDDNMWCRFWARA-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate with MolForge

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Related Compounds

5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
2-(cyclopropylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-ol
CID 64809590
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate (CID 64583750) is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate is CNC(C)(CCCN1CCC(COC)C1)C(=O)OC.
What is the InChIKey of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is GKDDNMWCRFWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(15-2,13(17)19-4)7-5-8-16-9-6-12(10-16)11-18-3/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate?
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 272.39 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).