2-(dodecylamino)acetic acid

C14H29NO2 — CID 16771

IUPAC2-(dodecylamino)acetic acid
SMILESCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyLNPHVNNRZGCOBK-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.58
Rot. Bonds13

About 2-(dodecylamino)acetic acid

2-(dodecylamino)acetic acid (PubChem CID 16771) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(dodecylamino)acetic acid.

Molecular Properties

Compound Name2-(dodecylamino)acetic acid
PubChem CID16771
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(dodecylamino)acetic acid
SMILESCCCCCCCCCCCCNCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyLNPHVNNRZGCOBK-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.58
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)acetic acid?
The IUPAC name of 2-(dodecylamino)acetic acid (CID 16771) is 2-(dodecylamino)acetic acid.
What is the SMILES notation for 2-(dodecylamino)acetic acid?
The canonical SMILES for 2-(dodecylamino)acetic acid is CCCCCCCCCCCCNCC(=O)O.
What is the InChIKey of 2-(dodecylamino)acetic acid?
The InChIKey is LNPHVNNRZGCOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17/h15H,2-13H2,1H3,(H,16,17).
What are the key properties of 2-(dodecylamino)acetic acid?
2-(dodecylamino)acetic acid has a molecular weight of 243.39 g/mol, XLogP of 3.58, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)acetic acid is sourced from PubChem (CID 16771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).