2-[2-(cycloheptylamino)ethoxy]acetic acid

C11H21NO3 — CID 82934150

IUPAC2-[2-(cycloheptylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC1CCCCCC1
InChIInChI=1S/C11H21NO3/c13-11(14)9-15-8-7-12-10-5-3-1-2-4-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyHDKGBTYZFCHFDR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds6

About 2-[2-(cycloheptylamino)ethoxy]acetic acid

2-[2-(cycloheptylamino)ethoxy]acetic acid (PubChem CID 82934150) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-(cycloheptylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(cycloheptylamino)ethoxy]acetic acid
PubChem CID82934150
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2-(cycloheptylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC1CCCCCC1
InChIInChI=1S/C11H21NO3/c13-11(14)9-15-8-7-12-10-5-3-1-2-4-6-10/h10,12H,1-9H2,(H,13,14)
InChIKeyHDKGBTYZFCHFDR-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(cycloheptylamino)ethoxy]acetic acid (CID 82934150) is 2-[2-(cycloheptylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(cycloheptylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(cycloheptylamino)ethoxy]acetic acid is O=C(O)COCCNC1CCCCCC1.
What is the InChIKey of 2-[2-(cycloheptylamino)ethoxy]acetic acid?
The InChIKey is HDKGBTYZFCHFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-11(14)9-15-8-7-12-10-5-3-1-2-4-6-10/h10,12H,1-9H2,(H,13,14).
What are the key properties of 2-[2-(cycloheptylamino)ethoxy]acetic acid?
2-[2-(cycloheptylamino)ethoxy]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylamino)ethoxy]acetic acid is sourced from PubChem (CID 82934150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).