2-amino-2-phenylundecanoic acid

C17H27NO2 — CID 11483830

IUPAC2-amino-2-phenylundecanoic acid
SMILESCCCCCCCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-11-14-17(18,16(19)20)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14,18H2,1H3,(H,19,20)
InChIKeyXFEINUPDUHHDHE-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.07
Rot. Bonds10

About 2-amino-2-phenylundecanoic acid

2-amino-2-phenylundecanoic acid (PubChem CID 11483830) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-2-phenylundecanoic acid.

Molecular Properties

Compound Name2-amino-2-phenylundecanoic acid
PubChem CID11483830
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-amino-2-phenylundecanoic acid
SMILESCCCCCCCCCC(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-7-11-14-17(18,16(19)20)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14,18H2,1H3,(H,19,20)
InChIKeyXFEINUPDUHHDHE-UHFFFAOYSA-N
XLogP4.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-2-phenylundecanoic acid?
The IUPAC name of 2-amino-2-phenylundecanoic acid (CID 11483830) is 2-amino-2-phenylundecanoic acid.
What is the SMILES notation for 2-amino-2-phenylundecanoic acid?
The canonical SMILES for 2-amino-2-phenylundecanoic acid is CCCCCCCCCC(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylundecanoic acid?
The InChIKey is XFEINUPDUHHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-11-14-17(18,16(19)20)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-2-phenylundecanoic acid?
2-amino-2-phenylundecanoic acid has a molecular weight of 277.41 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylundecanoic acid is sourced from PubChem (CID 11483830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).