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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Related Compounds

ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
CID 62027220
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
CID 62027795
2-propan-2-yloxyethyl 2-[cyclopropyl(ethyl)amino]acetate
CID 75456293
ethyl 2-[cyclopropyl(2-phenylsulfanylethyl)amino]acetate
CID 62025910
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070
ethyl 2-[cyclopropyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]acetate
CID 62027607
ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
CID 12636193
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
CID 62027430
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316

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).