azane;dodecane;propanoic acid

C18H41NO4 — CID 173003652

IUPACazane;dodecane;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCCCCCCCCCCC.N
InChIInChI=1S/C12H26.2C3H6O2.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3(4)5;/h3-12H2,1-2H3;2*2H2,1H3,(H,4,5);1H3
InChIKeyMKCQREPOMZRQIW-UHFFFAOYSA-N
MW335.53 g/mol
LogP6.05
Rot. Bonds11

About azane;dodecane;propanoic acid

azane;dodecane;propanoic acid (PubChem CID 173003652) has the molecular formula C18H41NO4 and a molecular weight of 335.53 g/mol. Its IUPAC name is azane;dodecane;propanoic acid.

Molecular Properties

Compound Nameazane;dodecane;propanoic acid
PubChem CID173003652
Molecular FormulaC18H41NO4
Molecular Weight335.53 g/mol
Exact Mass335.30
IUPAC Nameazane;dodecane;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCCCCCCCCCCC.N
InChIInChI=1S/C12H26.2C3H6O2.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3(4)5;/h3-12H2,1-2H3;2*2H2,1H3,(H,4,5);1H3
InChIKeyMKCQREPOMZRQIW-UHFFFAOYSA-N
XLogP6.05
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;dodecane;propanoic acid?
The IUPAC name of azane;dodecane;propanoic acid (CID 173003652) is azane;dodecane;propanoic acid.
What is the SMILES notation for azane;dodecane;propanoic acid?
The canonical SMILES for azane;dodecane;propanoic acid is CCC(=O)O.CCC(=O)O.CCCCCCCCCCCC.N.
What is the InChIKey of azane;dodecane;propanoic acid?
The InChIKey is MKCQREPOMZRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2C3H6O2.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3(4)5;/h3-12H2,1-2H3;2*2H2,1H3,(H,4,5);1H3.
What are the key properties of azane;dodecane;propanoic acid?
azane;dodecane;propanoic acid has a molecular weight of 335.53 g/mol, XLogP of 6.05, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dodecane;propanoic acid is sourced from PubChem (CID 173003652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).