methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate

C13H26N2O3 — CID 81061750

IUPACmethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
SMILESCCOCCN(C)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-9-8-15(3)10-13(14-2,11-6-7-11)12(16)17-4/h11,14H,5-10H2,1-4H3
InChIKeyRNEKSOIIFZVKGF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.50
Rot. Bonds9

About methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate (PubChem CID 81061750) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
PubChem CID81061750
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
SMILESCCOCCN(C)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-9-8-15(3)10-13(14-2,11-6-7-11)12(16)17-4/h11,14H,5-10H2,1-4H3
InChIKeyRNEKSOIIFZVKGF-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
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 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63928058
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]propanamide
CID 81062105
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
methyl 2-cyclopropyl-2-(methylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63927659
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate (CID 81061750) is methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate is CCOCCN(C)CC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate?
The InChIKey is RNEKSOIIFZVKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-9-8-15(3)10-13(14-2,11-6-7-11)12(16)17-4/h11,14H,5-10H2,1-4H3.
What are the key properties of methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 81061750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).