ethyl 2-[bis(2-methoxyethyl)amino]pentanoate

C13H27NO4 — CID 10912289

IUPACethyl 2-[bis(2-methoxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCOC)CCOC
InChIInChI=1S/C13H27NO4/c1-5-7-12(13(15)18-6-2)14(8-10-16-3)9-11-17-4/h12H,5-11H2,1-4H3
InChIKeyFGVCVFCRVXXOOB-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.31
Rot. Bonds11

About ethyl 2-[bis(2-methoxyethyl)amino]pentanoate

ethyl 2-[bis(2-methoxyethyl)amino]pentanoate (PubChem CID 10912289) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-[bis(2-methoxyethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[bis(2-methoxyethyl)amino]pentanoate
PubChem CID10912289
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nameethyl 2-[bis(2-methoxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCOC)CCOC
InChIInChI=1S/C13H27NO4/c1-5-7-12(13(15)18-6-2)14(8-10-16-3)9-11-17-4/h12H,5-11H2,1-4H3
InChIKeyFGVCVFCRVXXOOB-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(2-methoxyethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[bis(2-methoxyethyl)amino]pentanoate (CID 10912289) is ethyl 2-[bis(2-methoxyethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[bis(2-methoxyethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[bis(2-methoxyethyl)amino]pentanoate is CCCC(C(=O)OCC)N(CCOC)CCOC.
What is the InChIKey of ethyl 2-[bis(2-methoxyethyl)amino]pentanoate?
The InChIKey is FGVCVFCRVXXOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-7-12(13(15)18-6-2)14(8-10-16-3)9-11-17-4/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[bis(2-methoxyethyl)amino]pentanoate?
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate has a molecular weight of 261.36 g/mol, XLogP of 1.31, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(2-methoxyethyl)amino]pentanoate is sourced from PubChem (CID 10912289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).