ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate

C14H27NO4 — CID 81089815

IUPACethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate
SMILESCCOC(=O)CN(CCC(OCC)OCC)C1CC1
InChIInChI=1S/C14H27NO4/c1-4-17-13(16)11-15(12-7-8-12)10-9-14(18-5-2)19-6-3/h12,14H,4-11H2,1-3H3
InChIKeyFNCQJQQZFUPQNH-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.80
Rot. Bonds11

About ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate

ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate (PubChem CID 81089815) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate
PubChem CID81089815
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate
SMILESCCOC(=O)CN(CCC(OCC)OCC)C1CC1
InChIInChI=1S/C14H27NO4/c1-4-17-13(16)11-15(12-7-8-12)10-9-14(18-5-2)19-6-3/h12,14H,4-11H2,1-3H3
InChIKeyFNCQJQQZFUPQNH-UHFFFAOYSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate (CID 81089815) is ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate is CCOC(=O)CN(CCC(OCC)OCC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate?
The InChIKey is FNCQJQQZFUPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-17-13(16)11-15(12-7-8-12)10-9-14(18-5-2)19-6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate?
ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate has a molecular weight of 273.37 g/mol, XLogP of 1.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(3,3-diethoxypropyl)amino]acetate is sourced from PubChem (CID 81089815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).