2-(hexadecylamino)acetic acid

C18H37NO2 — CID 11130339

IUPAC2-(hexadecylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21/h19H,2-17H2,1H3,(H,20,21)
InChIKeyOCFPTDAAFAXKRD-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.14
Rot. Bonds17

About 2-(hexadecylamino)acetic acid

2-(hexadecylamino)acetic acid (PubChem CID 11130339) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(hexadecylamino)acetic acid.

Molecular Properties

Compound Name2-(hexadecylamino)acetic acid
PubChem CID11130339
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(hexadecylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21/h19H,2-17H2,1H3,(H,20,21)
InChIKeyOCFPTDAAFAXKRD-UHFFFAOYSA-N
XLogP5.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.14
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-(hexadecylamino)acetic acid?
The IUPAC name of 2-(hexadecylamino)acetic acid (CID 11130339) is 2-(hexadecylamino)acetic acid.
What is the SMILES notation for 2-(hexadecylamino)acetic acid?
The canonical SMILES for 2-(hexadecylamino)acetic acid is CCCCCCCCCCCCCCCCNCC(=O)O.
What is the InChIKey of 2-(hexadecylamino)acetic acid?
The InChIKey is OCFPTDAAFAXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18(20)21/h19H,2-17H2,1H3,(H,20,21).
What are the key properties of 2-(hexadecylamino)acetic acid?
2-(hexadecylamino)acetic acid has a molecular weight of 299.50 g/mol, XLogP of 5.14, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecylamino)acetic acid is sourced from PubChem (CID 11130339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).