methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate

C15H30N2O2 — CID 83222141

IUPACmethyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1C(C)CCC1CC)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-6-10-16-15(4,14(18)19-5)11-17-12(3)8-9-13(17)7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyMRWIRRNMYAYPOK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate

methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate (PubChem CID 83222141) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
PubChem CID83222141
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CN1C(C)CCC1CC)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-6-10-16-15(4,14(18)19-5)11-17-12(3)8-9-13(17)7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyMRWIRRNMYAYPOK-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 83221825
2-cyclopropyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)propanamide
CID 83221829
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
methyl 2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propylamino)propanoate
CID 79163895
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
2-cyclopropyl-2-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propanamide
CID 83221428
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248
N-[3-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 83227887
1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
CID 121340853
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 83221625

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The IUPAC name of methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate (CID 83222141) is methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate is CCCNC(C)(CN1C(C)CCC1CC)C(=O)OC.
What is the InChIKey of methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate?
The InChIKey is MRWIRRNMYAYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-10-16-15(4,14(18)19-5)11-17-12(3)8-9-13(17)7-2/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate?
methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propanoate is sourced from PubChem (CID 83222141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).