2-(15-methylhexadecanoylamino)acetic acid

C19H37NO3 — CID 138454225

IUPAC2-(15-methylhexadecanoylamino)acetic acid
SMILESCC(C)CCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C19H37NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)20-16-19(22)23/h17H,3-16H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWXTGFSYHBZPZCK-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.91
Rot. Bonds16

About 2-(15-methylhexadecanoylamino)acetic acid

2-(15-methylhexadecanoylamino)acetic acid (PubChem CID 138454225) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-(15-methylhexadecanoylamino)acetic acid.

Molecular Properties

Compound Name2-(15-methylhexadecanoylamino)acetic acid
PubChem CID138454225
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name2-(15-methylhexadecanoylamino)acetic acid
SMILESCC(C)CCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C19H37NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)20-16-19(22)23/h17H,3-16H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWXTGFSYHBZPZCK-UHFFFAOYSA-N
XLogP4.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.91
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-(15-methylhexadecanoylamino)acetic acid?
The IUPAC name of 2-(15-methylhexadecanoylamino)acetic acid (CID 138454225) is 2-(15-methylhexadecanoylamino)acetic acid.
What is the SMILES notation for 2-(15-methylhexadecanoylamino)acetic acid?
The canonical SMILES for 2-(15-methylhexadecanoylamino)acetic acid is CC(C)CCCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(15-methylhexadecanoylamino)acetic acid?
The InChIKey is WXTGFSYHBZPZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-17(2)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)20-16-19(22)23/h17H,3-16H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-(15-methylhexadecanoylamino)acetic acid?
2-(15-methylhexadecanoylamino)acetic acid has a molecular weight of 327.51 g/mol, XLogP of 4.91, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-methylhexadecanoylamino)acetic acid is sourced from PubChem (CID 138454225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).