2-[methyl(20-oxoicosyl)amino]acetic acid

C23H45NO3 — CID 91508030

IUPAC2-[methyl(20-oxoicosyl)amino]acetic acid
SMILESCN(CCCCCCCCCCCCCCCCCCCC=O)CC(=O)O
InChIInChI=1S/C23H45NO3/c1-24(22-23(26)27)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-25/h21H,2-20,22H2,1H3,(H,26,27)
InChIKeyDRBIRTOJDMHEFB-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.22
Rot. Bonds22

About 2-[methyl(20-oxoicosyl)amino]acetic acid

2-[methyl(20-oxoicosyl)amino]acetic acid (PubChem CID 91508030) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-[methyl(20-oxoicosyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(20-oxoicosyl)amino]acetic acid
PubChem CID91508030
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Name2-[methyl(20-oxoicosyl)amino]acetic acid
SMILESCN(CCCCCCCCCCCCCCCCCCCC=O)CC(=O)O
InChIInChI=1S/C23H45NO3/c1-24(22-23(26)27)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-25/h21H,2-20,22H2,1H3,(H,26,27)
InChIKeyDRBIRTOJDMHEFB-UHFFFAOYSA-N
XLogP6.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(20-oxoicosyl)amino]acetic acid?
The IUPAC name of 2-[methyl(20-oxoicosyl)amino]acetic acid (CID 91508030) is 2-[methyl(20-oxoicosyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(20-oxoicosyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(20-oxoicosyl)amino]acetic acid is CN(CCCCCCCCCCCCCCCCCCCC=O)CC(=O)O.
What is the InChIKey of 2-[methyl(20-oxoicosyl)amino]acetic acid?
The InChIKey is DRBIRTOJDMHEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO3/c1-24(22-23(26)27)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-25/h21H,2-20,22H2,1H3,(H,26,27).
What are the key properties of 2-[methyl(20-oxoicosyl)amino]acetic acid?
2-[methyl(20-oxoicosyl)amino]acetic acid has a molecular weight of 383.62 g/mol, XLogP of 6.22, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(20-oxoicosyl)amino]acetic acid is sourced from PubChem (CID 91508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).