2-(dodecylamino)propanoic acid

C15H31NO2 — CID 15919800

IUPAC2-(dodecylamino)propanoic acid
SMILESCCCCCCCCCCCCNC(C)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h14,16H,3-13H2,1-2H3,(H,17,18)
InChIKeyWJYAJBDKANFOID-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.97
Rot. Bonds13

About 2-(dodecylamino)propanoic acid

2-(dodecylamino)propanoic acid (PubChem CID 15919800) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(dodecylamino)propanoic acid.

Molecular Properties

Compound Name2-(dodecylamino)propanoic acid
PubChem CID15919800
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(dodecylamino)propanoic acid
SMILESCCCCCCCCCCCCNC(C)C(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h14,16H,3-13H2,1-2H3,(H,17,18)
InChIKeyWJYAJBDKANFOID-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.97
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-(dodecylamino)propanoic acid?
The IUPAC name of 2-(dodecylamino)propanoic acid (CID 15919800) is 2-(dodecylamino)propanoic acid.
What is the SMILES notation for 2-(dodecylamino)propanoic acid?
The canonical SMILES for 2-(dodecylamino)propanoic acid is CCCCCCCCCCCCNC(C)C(=O)O.
What is the InChIKey of 2-(dodecylamino)propanoic acid?
The InChIKey is WJYAJBDKANFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15(17)18/h14,16H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 2-(dodecylamino)propanoic acid?
2-(dodecylamino)propanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.97, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)propanoic acid is sourced from PubChem (CID 15919800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).