2-aminotetracosanoic acid

C24H49NO2 — CID 88730229

IUPAC2-aminotetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23H,2-22,25H2,1H3,(H,26,27)
InChIKeyYITCQOMGNWYUTF-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.61
Rot. Bonds22

About 2-aminotetracosanoic acid

2-aminotetracosanoic acid (PubChem CID 88730229) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 2-aminotetracosanoic acid.

Molecular Properties

Compound Name2-aminotetracosanoic acid
PubChem CID88730229
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name2-aminotetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23H,2-22,25H2,1H3,(H,26,27)
InChIKeyYITCQOMGNWYUTF-UHFFFAOYSA-N
XLogP7.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.61
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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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143

Frequently Asked Questions

What is the IUPAC name of 2-aminotetracosanoic acid?
The IUPAC name of 2-aminotetracosanoic acid (CID 88730229) is 2-aminotetracosanoic acid.
What is the SMILES notation for 2-aminotetracosanoic acid?
The canonical SMILES for 2-aminotetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(N)C(=O)O.
What is the InChIKey of 2-aminotetracosanoic acid?
The InChIKey is YITCQOMGNWYUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23H,2-22,25H2,1H3,(H,26,27).
What are the key properties of 2-aminotetracosanoic acid?
2-aminotetracosanoic acid has a molecular weight of 383.66 g/mol, XLogP of 7.61, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminotetracosanoic acid is sourced from PubChem (CID 88730229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).