ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate

C16H32N2O2 — CID 64710612

IUPACethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCC(C)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-9-17-16(5,15(19)20-7-2)11-14(4)18-10-8-13(3)12-18/h13-14,17H,6-12H2,1-5H3
InChIKeyVWHXWPLPYWEYBD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds8

About ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate

ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate (PubChem CID 64710612) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
PubChem CID64710612
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)N1CCC(C)C1)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-6-9-17-16(5,15(19)20-7-2)11-14(4)18-10-8-13(3)12-18/h13-14,17H,6-12H2,1-5H3
InChIKeyVWHXWPLPYWEYBD-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 103538071
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
2-amino-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanamide
CID 64711973
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 64703620
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340
ethyl 3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(propylamino)propanoate
CID 102966305
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate (CID 64710612) is ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate is CCCNC(C)(CC(C)N1CCC(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate?
The InChIKey is VWHXWPLPYWEYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-9-17-16(5,15(19)20-7-2)11-14(4)18-10-8-13(3)12-18/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate?
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate is sourced from PubChem (CID 64710612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).