2-(3-hydroxyhexadecanoylamino)acetic acid

C18H35NO4 — CID 10711444

IUPAC2-(3-hydroxyhexadecanoylamino)acetic acid
SMILESCCCCCCCCCCCCCC(O)CC(=O)NCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23)
InChIKeyMZUHHHSFDVDBCZ-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.64
Rot. Bonds16

About 2-(3-hydroxyhexadecanoylamino)acetic acid

2-(3-hydroxyhexadecanoylamino)acetic acid (PubChem CID 10711444) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-(3-hydroxyhexadecanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxyhexadecanoylamino)acetic acid
PubChem CID10711444
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name2-(3-hydroxyhexadecanoylamino)acetic acid
SMILESCCCCCCCCCCCCCC(O)CC(=O)NCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23)
InChIKeyMZUHHHSFDVDBCZ-UHFFFAOYSA-N
XLogP3.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-hydroxyhexadecanoylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyhexadecanoylamino)acetic acid?
The IUPAC name of 2-(3-hydroxyhexadecanoylamino)acetic acid (CID 10711444) is 2-(3-hydroxyhexadecanoylamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxyhexadecanoylamino)acetic acid?
The canonical SMILES for 2-(3-hydroxyhexadecanoylamino)acetic acid is CCCCCCCCCCCCCC(O)CC(=O)NCC(=O)O.
What is the InChIKey of 2-(3-hydroxyhexadecanoylamino)acetic acid?
The InChIKey is MZUHHHSFDVDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-(3-hydroxyhexadecanoylamino)acetic acid?
2-(3-hydroxyhexadecanoylamino)acetic acid has a molecular weight of 329.48 g/mol, XLogP of 3.64, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyhexadecanoylamino)acetic acid is sourced from PubChem (CID 10711444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).