2-ethyl-5-(propylamino)hexanoic acid

C11H23NO2 — CID 143678102

IUPAC2-ethyl-5-(propylamino)hexanoic acid
SMILESCCCNC(C)CCC(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-8-12-9(3)6-7-10(5-2)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyOEBMWKYNCJPXNR-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.27
Rot. Bonds8

About 2-ethyl-5-(propylamino)hexanoic acid

2-ethyl-5-(propylamino)hexanoic acid (PubChem CID 143678102) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-ethyl-5-(propylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(propylamino)hexanoic acid
PubChem CID143678102
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-ethyl-5-(propylamino)hexanoic acid
SMILESCCCNC(C)CCC(CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-8-12-9(3)6-7-10(5-2)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyOEBMWKYNCJPXNR-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(propylamino)hexanoic acid?
The IUPAC name of 2-ethyl-5-(propylamino)hexanoic acid (CID 143678102) is 2-ethyl-5-(propylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-5-(propylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-5-(propylamino)hexanoic acid is CCCNC(C)CCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-5-(propylamino)hexanoic acid?
The InChIKey is OEBMWKYNCJPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-8-12-9(3)6-7-10(5-2)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-5-(propylamino)hexanoic acid?
2-ethyl-5-(propylamino)hexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(propylamino)hexanoic acid is sourced from PubChem (CID 143678102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).