methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate

C11H22N2O2 — CID 63906010

IUPACmethyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
SMILESCCNC(CN(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C11H22N2O2/c1-5-12-11(8-13(2)3,9-6-7-9)10(14)15-4/h9,12H,5-8H2,1-4H3
InChIKeyIDAWJAHDPZIPLM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds6

About methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate

methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate (PubChem CID 63906010) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
PubChem CID63906010
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
SMILESCCNC(CN(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C11H22N2O2/c1-5-12-11(8-13(2)3,9-6-7-9)10(14)15-4/h9,12H,5-8H2,1-4H3
InChIKeyIDAWJAHDPZIPLM-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
methyl 2-cyclopropyl-2-(ethylamino)-3-(2-methylpropoxy)propanoate
CID 63921337
methyl 2-cyclopropyl-2-(ethylamino)-3-[2-(methylamino)-2-oxoethyl]sulfanylpropanoate
CID 114231919
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708
methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449
methyl 2-cyclopropyl-3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745588
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanoate
CID 66103421
ethyl 2-cyclopropyl-2-(ethylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 63910545
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-methoxyethyl(propan-2-yl)amino]propanoate
CID 82942442
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate (CID 63906010) is methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate is CCNC(CN(C)C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate?
The InChIKey is IDAWJAHDPZIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-12-11(8-13(2)3,9-6-7-9)10(14)15-4/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate?
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate is sourced from PubChem (CID 63906010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).