2-(undecylamino)acetic acid

C13H27NO2 — CID 3019755

IUPAC2-(undecylamino)acetic acid
SMILESCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h14H,2-12H2,1H3,(H,15,16)
InChIKeyQZVLLXPELCRVPR-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.19
Rot. Bonds12

About 2-(undecylamino)acetic acid

2-(undecylamino)acetic acid (PubChem CID 3019755) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(undecylamino)acetic acid.

Molecular Properties

Compound Name2-(undecylamino)acetic acid
PubChem CID3019755
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(undecylamino)acetic acid
SMILESCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h14H,2-12H2,1H3,(H,15,16)
InChIKeyQZVLLXPELCRVPR-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.19
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-(undecylamino)acetic acid?
The IUPAC name of 2-(undecylamino)acetic acid (CID 3019755) is 2-(undecylamino)acetic acid.
What is the SMILES notation for 2-(undecylamino)acetic acid?
The canonical SMILES for 2-(undecylamino)acetic acid is CCCCCCCCCCCNCC(=O)O.
What is the InChIKey of 2-(undecylamino)acetic acid?
The InChIKey is QZVLLXPELCRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(15)16/h14H,2-12H2,1H3,(H,15,16).
What are the key properties of 2-(undecylamino)acetic acid?
2-(undecylamino)acetic acid has a molecular weight of 229.36 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undecylamino)acetic acid is sourced from PubChem (CID 3019755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).