methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate

C12H23NO4 — CID 63919167

IUPACmethyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
SMILESCCOCCOCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C12H23NO4/c1-4-16-7-8-17-9-12(13-2,10-5-6-10)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeySFSIBDXRVQGQRZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.58
Rot. Bonds9

About methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate (PubChem CID 63919167) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
PubChem CID63919167
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
SMILESCCOCCOCC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C12H23NO4/c1-4-16-7-8-17-9-12(13-2,10-5-6-10)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeySFSIBDXRVQGQRZ-UHFFFAOYSA-N
XLogP0.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.58
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

ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
CID 106204240
methyl 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propanoate
CID 82005504
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propoxyethoxy)propanoate
CID 63920027
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 2-cyclopropyl-2-(methylamino)-3-phenoxypropanoate
CID 63919798
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
CID 115942541

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate (CID 63919167) is methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate is CCOCCOCC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate?
The InChIKey is SFSIBDXRVQGQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-16-7-8-17-9-12(13-2,10-5-6-10)11(14)15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate has a molecular weight of 245.32 g/mol, XLogP of 0.58, 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-ethoxyethoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 63919167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).