2-ethylhexyl 3-aminopropanoate

C11H23NO2 — CID 61302289

IUPAC2-ethylhexyl 3-aminopropanoate
SMILESCCCCC(CC)COC(=O)CCN
InChIInChI=1S/C11H23NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-9,12H2,1-2H3
InChIKeyTZGMQPCGHFIHKZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds8

About 2-ethylhexyl 3-aminopropanoate

2-ethylhexyl 3-aminopropanoate (PubChem CID 61302289) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethylhexyl 3-aminopropanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-aminopropanoate
PubChem CID61302289
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethylhexyl 3-aminopropanoate
SMILESCCCCC(CC)COC(=O)CCN
InChIInChI=1S/C11H23NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-9,12H2,1-2H3
InChIKeyTZGMQPCGHFIHKZ-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylhexyl 3-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-aminopropanoate?
The IUPAC name of 2-ethylhexyl 3-aminopropanoate (CID 61302289) is 2-ethylhexyl 3-aminopropanoate.
What is the SMILES notation for 2-ethylhexyl 3-aminopropanoate?
The canonical SMILES for 2-ethylhexyl 3-aminopropanoate is CCCCC(CC)COC(=O)CCN.
What is the InChIKey of 2-ethylhexyl 3-aminopropanoate?
The InChIKey is TZGMQPCGHFIHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-9,12H2,1-2H3.
What are the key properties of 2-ethylhexyl 3-aminopropanoate?
2-ethylhexyl 3-aminopropanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-aminopropanoate is sourced from PubChem (CID 61302289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).