2-(undecylideneamino)acetic acid

C13H25NO2 — CID 90737182

IUPAC2-(undecylideneamino)acetic acid
SMILESCCCCCCCCCC/C=N/CC(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h11H,2-10,12H2,1H3,(H,15,16)/b14-11+
InChIKeyOOTZFAABUVZWMV-SDNWHVSQSA-N
MW227.35 g/mol
LogP3.67
Rot. Bonds11

About 2-(undecylideneamino)acetic acid

2-(undecylideneamino)acetic acid (PubChem CID 90737182) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(undecylideneamino)acetic acid.

Molecular Properties

Compound Name2-(undecylideneamino)acetic acid
PubChem CID90737182
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(undecylideneamino)acetic acid
SMILESCCCCCCCCCC/C=N/CC(=O)O
InChIInChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h11H,2-10,12H2,1H3,(H,15,16)/b14-11+
InChIKeyOOTZFAABUVZWMV-SDNWHVSQSA-N
XLogP3.67
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(undecylideneamino)acetic acid?
The IUPAC name of 2-(undecylideneamino)acetic acid (CID 90737182) is 2-(undecylideneamino)acetic acid.
What is the SMILES notation for 2-(undecylideneamino)acetic acid?
The canonical SMILES for 2-(undecylideneamino)acetic acid is CCCCCCCCCC/C=N/CC(=O)O.
What is the InChIKey of 2-(undecylideneamino)acetic acid?
The InChIKey is OOTZFAABUVZWMV-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h11H,2-10,12H2,1H3,(H,15,16)/b14-11+.
What are the key properties of 2-(undecylideneamino)acetic acid?
2-(undecylideneamino)acetic acid has a molecular weight of 227.35 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undecylideneamino)acetic acid is sourced from PubChem (CID 90737182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).