2-[carboxymethyl(hexadecanoyl)amino]acetic acid

C20H37NO5 — CID 71587150

IUPAC2-[carboxymethyl(hexadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C20H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21(16-19(23)24)17-20(25)26/h2-17H2,1H3,(H,23,24)(H,25,26)
InChIKeyYHUULHIGTQICDJ-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.47
Rot. Bonds18

About 2-[carboxymethyl(hexadecanoyl)amino]acetic acid

2-[carboxymethyl(hexadecanoyl)amino]acetic acid (PubChem CID 71587150) has the molecular formula C20H37NO5 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[carboxymethyl(hexadecanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(hexadecanoyl)amino]acetic acid
PubChem CID71587150
Molecular FormulaC20H37NO5
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name2-[carboxymethyl(hexadecanoyl)amino]acetic acid
SMILESCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C20H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21(16-19(23)24)17-20(25)26/h2-17H2,1H3,(H,23,24)(H,25,26)
InChIKeyYHUULHIGTQICDJ-UHFFFAOYSA-N
XLogP4.47
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
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-[carboxymethyl(hexadecanoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(hexadecanoyl)amino]acetic acid (CID 71587150) is 2-[carboxymethyl(hexadecanoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(hexadecanoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(hexadecanoyl)amino]acetic acid is CCCCCCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(hexadecanoyl)amino]acetic acid?
The InChIKey is YHUULHIGTQICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21(16-19(23)24)17-20(25)26/h2-17H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[carboxymethyl(hexadecanoyl)amino]acetic acid?
2-[carboxymethyl(hexadecanoyl)amino]acetic acid has a molecular weight of 371.52 g/mol, XLogP of 4.47, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(hexadecanoyl)amino]acetic acid is sourced from PubChem (CID 71587150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).