2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid

C15H23NO4 — CID 2755409

IUPAC2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO4/c17-13(18)9-20-2-1-16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19)(H,17,18)
InChIKeyPXQYWBJBQFEYDX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid

2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid (PubChem CID 2755409) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid
PubChem CID2755409
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23NO4/c17-13(18)9-20-2-1-16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19)(H,17,18)
InChIKeyPXQYWBJBQFEYDX-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid 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-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid (CID 2755409) is 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid?
The InChIKey is PXQYWBJBQFEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-13(18)9-20-2-1-16-14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h10-12H,1-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid?
2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(adamantane-1-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 2755409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).