2-(2-ethylhexylamino)acetic acid

C10H21NO2 — CID 21289227

IUPAC2-(2-ethylhexylamino)acetic acid
SMILESCCCCC(CC)CNCC(=O)O
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)7-11-8-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyCBDIGYHWHBLJKB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.88
Rot. Bonds8

About 2-(2-ethylhexylamino)acetic acid

2-(2-ethylhexylamino)acetic acid (PubChem CID 21289227) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(2-ethylhexylamino)acetic acid.

Molecular Properties

Compound Name2-(2-ethylhexylamino)acetic acid
PubChem CID21289227
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(2-ethylhexylamino)acetic acid
SMILESCCCCC(CC)CNCC(=O)O
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)7-11-8-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyCBDIGYHWHBLJKB-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylamino)acetic acid?
The IUPAC name of 2-(2-ethylhexylamino)acetic acid (CID 21289227) is 2-(2-ethylhexylamino)acetic acid.
What is the SMILES notation for 2-(2-ethylhexylamino)acetic acid?
The canonical SMILES for 2-(2-ethylhexylamino)acetic acid is CCCCC(CC)CNCC(=O)O.
What is the InChIKey of 2-(2-ethylhexylamino)acetic acid?
The InChIKey is CBDIGYHWHBLJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-9(4-2)7-11-8-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-ethylhexylamino)acetic acid?
2-(2-ethylhexylamino)acetic acid has a molecular weight of 187.28 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylamino)acetic acid is sourced from PubChem (CID 21289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).