2-(nonanoylamino)acetic acid

C11H21NO3 — CID 10176752

IUPAC2-(nonanoylamino)acetic acid
SMILESCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyJXDFEUKNHBHUCP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds9

About 2-(nonanoylamino)acetic acid

2-(nonanoylamino)acetic acid (PubChem CID 10176752) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(nonanoylamino)acetic acid.

Molecular Properties

Compound Name2-(nonanoylamino)acetic acid
PubChem CID10176752
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(nonanoylamino)acetic acid
SMILESCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyJXDFEUKNHBHUCP-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
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-(nonanoylamino)acetic acid?
The IUPAC name of 2-(nonanoylamino)acetic acid (CID 10176752) is 2-(nonanoylamino)acetic acid.
What is the SMILES notation for 2-(nonanoylamino)acetic acid?
The canonical SMILES for 2-(nonanoylamino)acetic acid is CCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(nonanoylamino)acetic acid?
The InChIKey is JXDFEUKNHBHUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(nonanoylamino)acetic acid?
2-(nonanoylamino)acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonanoylamino)acetic acid is sourced from PubChem (CID 10176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).