2-(octadecylamino)acetic acid

C20H41NO2 — CID 3480557

IUPAC2-(octadecylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(22)23/h21H,2-19H2,1H3,(H,22,23)
InChIKeySHRYOWAOIIMOSO-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.92
Rot. Bonds19

About 2-(octadecylamino)acetic acid

2-(octadecylamino)acetic acid (PubChem CID 3480557) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 2-(octadecylamino)acetic acid.

Molecular Properties

Compound Name2-(octadecylamino)acetic acid
PubChem CID3480557
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name2-(octadecylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(22)23/h21H,2-19H2,1H3,(H,22,23)
InChIKeySHRYOWAOIIMOSO-UHFFFAOYSA-N
XLogP5.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.92
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-(octadecylamino)acetic acid?
The IUPAC name of 2-(octadecylamino)acetic acid (CID 3480557) is 2-(octadecylamino)acetic acid.
What is the SMILES notation for 2-(octadecylamino)acetic acid?
The canonical SMILES for 2-(octadecylamino)acetic acid is CCCCCCCCCCCCCCCCCCNCC(=O)O.
What is the InChIKey of 2-(octadecylamino)acetic acid?
The InChIKey is SHRYOWAOIIMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20(22)23/h21H,2-19H2,1H3,(H,22,23).
What are the key properties of 2-(octadecylamino)acetic acid?
2-(octadecylamino)acetic acid has a molecular weight of 327.55 g/mol, XLogP of 5.92, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadecylamino)acetic acid is sourced from PubChem (CID 3480557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).