2-(tetradecanoylamino)acetate

C16H30NO3- — CID 4060556

IUPAC2-(tetradecanoylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)[O-]
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyDYUGTPXLDJQBRB-UHFFFAOYSA-M
MW284.42 g/mol
LogP2.55
Rot. Bonds14

About 2-(tetradecanoylamino)acetate

2-(tetradecanoylamino)acetate (PubChem CID 4060556) has the molecular formula C16H30NO3- and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(tetradecanoylamino)acetate.

Molecular Properties

Compound Name2-(tetradecanoylamino)acetate
PubChem CID4060556
Molecular FormulaC16H30NO3-
Molecular Weight284.42 g/mol
Exact Mass284.22
IUPAC Name2-(tetradecanoylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)[O-]
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyDYUGTPXLDJQBRB-UHFFFAOYSA-M
XLogP2.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(tetradecanoylamino)acetate?
The IUPAC name of 2-(tetradecanoylamino)acetate (CID 4060556) is 2-(tetradecanoylamino)acetate.
What is the SMILES notation for 2-(tetradecanoylamino)acetate?
The canonical SMILES for 2-(tetradecanoylamino)acetate is CCCCCCCCCCCCCC(=O)NCC(=O)[O-].
What is the InChIKey of 2-(tetradecanoylamino)acetate?
The InChIKey is DYUGTPXLDJQBRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-(tetradecanoylamino)acetate?
2-(tetradecanoylamino)acetate has a molecular weight of 284.42 g/mol, XLogP of 2.55, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecanoylamino)acetate is sourced from PubChem (CID 4060556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).