2-[ethyl(methyl)amino]ethyl 3-aminopropanoate

C8H18N2O2 — CID 89304137

IUPAC2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
SMILESCCN(C)CCOC(=O)CCN
InChIInChI=1S/C8H18N2O2/c1-3-10(2)6-7-12-8(11)4-5-9/h3-7,9H2,1-2H3
InChIKeyWRWWYOFEFIZTMD-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds6

About 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate

2-[ethyl(methyl)amino]ethyl 3-aminopropanoate (PubChem CID 89304137) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
PubChem CID89304137
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
SMILESCCN(C)CCOC(=O)CCN
InChIInChI=1S/C8H18N2O2/c1-3-10(2)6-7-12-8(11)4-5-9/h3-7,9H2,1-2H3
InChIKeyWRWWYOFEFIZTMD-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
CID 138517568
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
2-[2-(dimethylamino)ethyl-methylamino]ethyl pentadecanoate
CID 118631053
2-hydroxyethyl 3-aminopropanoate
CID 22321350
2-[methyl(4-methyldecan-4-yl)amino]ethyl 3-aminopropanoate
CID 139375879
octyl 3-aminopropanoate;hydrochloride
CID 173393352
2-bromoethyl 3-aminopropanoate
CID 15703163
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
CID 156749996
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate?
The IUPAC name of 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate (CID 89304137) is 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate.
What is the SMILES notation for 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate?
The canonical SMILES for 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate is CCN(C)CCOC(=O)CCN.
What is the InChIKey of 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate?
The InChIKey is WRWWYOFEFIZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-10(2)6-7-12-8(11)4-5-9/h3-7,9H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate?
2-[ethyl(methyl)amino]ethyl 3-aminopropanoate has a molecular weight of 174.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]ethyl 3-aminopropanoate is sourced from PubChem (CID 89304137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).