ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate

C16H31N3O2 — CID 63928058

IUPACethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
SMILESCCOC(=O)C(CN(C)CCN1CCCC1)(NC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-21-15(20)16(17-2,14-7-8-14)13-18(3)11-12-19-9-5-6-10-19/h14,17H,4-13H2,1-3H3
InChIKeyWAFAFZQXLVFGDH-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.95
Rot. Bonds9

About ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate

ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate (PubChem CID 63928058) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
PubChem CID63928058
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
SMILESCCOC(=O)C(CN(C)CCN1CCCC1)(NC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-21-15(20)16(17-2,14-7-8-14)13-18(3)11-12-19-9-5-6-10-19/h14,17H,4-13H2,1-3H3
InChIKeyWAFAFZQXLVFGDH-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63927657
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
CID 63909180
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The IUPAC name of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate (CID 63928058) is ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate is CCOC(=O)C(CN(C)CCN1CCCC1)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
The InChIKey is WAFAFZQXLVFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-21-15(20)16(17-2,14-7-8-14)13-18(3)11-12-19-9-5-6-10-19/h14,17H,4-13H2,1-3H3.
What are the key properties of ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate?
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate has a molecular weight of 297.44 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate is sourced from PubChem (CID 63928058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).