2-dodecyliminopropanoic acid

C15H29NO2 — CID 57310763

IUPAC2-dodecyliminopropanoic acid
SMILESCCCCCCCCCCCC/N=C(\C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h3-13H2,1-2H3,(H,17,18)/b16-14+
InChIKeyTYEUGZVRDRRWRZ-JQIJEIRASA-N
MW255.40 g/mol
LogP4.45
Rot. Bonds12

About 2-dodecyliminopropanoic acid

2-dodecyliminopropanoic acid (PubChem CID 57310763) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-dodecyliminopropanoic acid.

Molecular Properties

Compound Name2-dodecyliminopropanoic acid
PubChem CID57310763
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-dodecyliminopropanoic acid
SMILESCCCCCCCCCCCC/N=C(\C)C(=O)O
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h3-13H2,1-2H3,(H,17,18)/b16-14+
InChIKeyTYEUGZVRDRRWRZ-JQIJEIRASA-N
XLogP4.45
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.45
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-dodecyliminopropanoic acid?
The IUPAC name of 2-dodecyliminopropanoic acid (CID 57310763) is 2-dodecyliminopropanoic acid.
What is the SMILES notation for 2-dodecyliminopropanoic acid?
The canonical SMILES for 2-dodecyliminopropanoic acid is CCCCCCCCCCCC/N=C(\C)C(=O)O.
What is the InChIKey of 2-dodecyliminopropanoic acid?
The InChIKey is TYEUGZVRDRRWRZ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h3-13H2,1-2H3,(H,17,18)/b16-14+.
What are the key properties of 2-dodecyliminopropanoic acid?
2-dodecyliminopropanoic acid has a molecular weight of 255.40 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyliminopropanoic acid is sourced from PubChem (CID 57310763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).