ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate

C13H25NO5 — CID 104565266

IUPACethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOC(=O)C(N)(COCCOCCOC)C1CC1
InChIInChI=1S/C13H25NO5/c1-3-19-12(15)13(14,11-4-5-11)10-18-9-8-17-7-6-16-2/h11H,3-10,14H2,1-2H3
InChIKeyLANWNNKIXMYMMD-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.34
Rot. Bonds11

About ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate

ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 104565266) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID104565266
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCOC(=O)C(N)(COCCOCCOC)C1CC1
InChIInChI=1S/C13H25NO5/c1-3-19-12(15)13(14,11-4-5-11)10-18-9-8-17-7-6-16-2/h11H,3-10,14H2,1-2H3
InChIKeyLANWNNKIXMYMMD-UHFFFAOYSA-N
XLogP0.34
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
ethyl 2-cyclopropyl-3-(3-methoxypropoxy)-2-(methylamino)propanoate
CID 63918950
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]-2-methylpropanoate
CID 103180037
2-amino-2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589049
ethyl 2-amino-2-cyclopropyl-3-(3,5-dimethylphenoxy)propanoate
CID 63919012
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 104565266) is ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate is CCOC(=O)C(N)(COCCOCCOC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is LANWNNKIXMYMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-3-19-12(15)13(14,11-4-5-11)10-18-9-8-17-7-6-16-2/h11H,3-10,14H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 275.34 g/mol, XLogP of 0.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 104565266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).