ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate

C13H27NO3 — CID 55004372

IUPACethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
SMILESCCOC(=O)CCN(CCOC)C(CC)CC
InChIInChI=1S/C13H27NO3/c1-5-12(6-2)14(10-11-16-4)9-8-13(15)17-7-3/h12H,5-11H2,1-4H3
InChIKeyGLJOVDFUMBMTBL-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.08
Rot. Bonds10

About ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate

ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate (PubChem CID 55004372) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
PubChem CID55004372
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
SMILESCCOC(=O)CCN(CCOC)C(CC)CC
InChIInChI=1S/C13H27NO3/c1-5-12(6-2)14(10-11-16-4)9-8-13(15)17-7-3/h12H,5-11H2,1-4H3
InChIKeyGLJOVDFUMBMTBL-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
hydrazinyl 3-[2-hydroxyethyl(pentan-3-yl)amino]propanoate
CID 66338223
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210
ethyl 3-[3-methoxypropylsulfonyl(methyl)amino]propanoate
CID 55173272
ethyl 5-methoxypentanoate
CID 21476247
ethyl 3-[amino(butan-2-yl)amino]propanoate
CID 156543048
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate?
The IUPAC name of ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate (CID 55004372) is ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate is CCOC(=O)CCN(CCOC)C(CC)CC.
What is the InChIKey of ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate?
The InChIKey is GLJOVDFUMBMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-12(6-2)14(10-11-16-4)9-8-13(15)17-7-3/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate?
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate has a molecular weight of 245.36 g/mol, XLogP of 2.08, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate is sourced from PubChem (CID 55004372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).