4-amino-5-oxo-5-tetracosanoyloxypentanoic acid

C29H55NO5 — CID 170430901

IUPAC4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C(N)CCC(=O)O
InChIInChI=1S/C29H55NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(33)35-29(34)26(30)24-25-27(31)32/h26H,2-25,30H2,1H3,(H,31,32)
InChIKeyLVRJTJGJHFZENQ-UHFFFAOYSA-N
MW497.76 g/mol
LogP7.85
Rot. Bonds26

About 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid

4-amino-5-oxo-5-tetracosanoyloxypentanoic acid (PubChem CID 170430901) has the molecular formula C29H55NO5 and a molecular weight of 497.76 g/mol. Its IUPAC name is 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
PubChem CID170430901
Molecular FormulaC29H55NO5
Molecular Weight497.76 g/mol
Exact Mass497.41
IUPAC Name4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C(N)CCC(=O)O
InChIInChI=1S/C29H55NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(33)35-29(34)26(30)24-25-27(31)32/h26H,2-25,30H2,1H3,(H,31,32)
InChIKeyLVRJTJGJHFZENQ-UHFFFAOYSA-N
XLogP7.85
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.76
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-5-octanoyloxy-5-oxopentanoic acid
CID 87093144
4-amino-5-dodecanoyloxy-5-oxopentanoic acid;octadecanamide
CID 87706708
4-amino-5-(12-octyltetracosanoyloxy)-5-oxopentanoic acid
CID 175438764
dioctadecanoyl (2S)-2-aminopentanedioate
CID 57221683
4-amino-5-dodecanoyloxy-5-oxopentanoic acid;2,5-diamino-5-oxopentanoic acid
CID 126494554
4-amino-5-dodecanoyloxy-5-oxopentanoic acid;12-octylicosan-1-ol
CID 174825691
4-amino-5-octadecanoyloxy-5-oxopentanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 89414415
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
1-O-(2-aminoacetyl) 5-O-dodecanoyl (2S)-2-aminopentanedioate
CID 174825686
3-amino-4-decanoyloxy-4-oxobutanoic acid
CID 87121453
(2S)-2-amino-5-nonanoyloxy-5-oxopentanoic acid
CID 175416934
sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
CID 57349620

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid (CID 170430901) is 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid?
The InChIKey is LVRJTJGJHFZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(33)35-29(34)26(30)24-25-27(31)32/h26H,2-25,30H2,1H3,(H,31,32).
What are the key properties of 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid?
4-amino-5-oxo-5-tetracosanoyloxypentanoic acid has a molecular weight of 497.76 g/mol, XLogP of 7.85, 26 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-tetracosanoyloxypentanoic acid is sourced from PubChem (CID 170430901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).