ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate

C14H25NO3 — CID 106204240

IUPACethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCC1CC1)(NC)C1CC1
InChIInChI=1S/C14H25NO3/c1-3-18-13(16)14(15-2,12-6-7-12)10-17-9-8-11-4-5-11/h11-12,15H,3-10H2,1-2H3
InChIKeyPUINOJAFTOXPMI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.73
Rot. Bonds9

About ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate

ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate (PubChem CID 106204240) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
PubChem CID106204240
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate
SMILESCCOC(=O)C(COCCC1CC1)(NC)C1CC1
InChIInChI=1S/C14H25NO3/c1-3-18-13(16)14(15-2,12-6-7-12)10-17-9-8-11-4-5-11/h11-12,15H,3-10H2,1-2H3
InChIKeyPUINOJAFTOXPMI-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
methyl 2-cyclopropyl-3-(2-ethoxyethoxy)-2-(methylamino)propanoate
CID 63919167
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
ethyl 2-cyclopropyl-3-(3,3-dimethylbutoxy)-2-(ethylamino)propanoate
CID 66226799
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate (CID 106204240) is ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate is CCOC(=O)C(COCCC1CC1)(NC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate?
The InChIKey is PUINOJAFTOXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-18-13(16)14(15-2,12-6-7-12)10-17-9-8-11-4-5-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate?
ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate has a molecular weight of 255.36 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(2-cyclopropylethoxy)-2-(methylamino)propanoate is sourced from PubChem (CID 106204240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).