2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid

C34H64N2O4 — CID 90369111

IUPAC2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCCCC(N)C(=O)O)C1=O
InChIInChI=1S/C34H64N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-29-32(37)36(33(30)38)28-25-24-27-31(35)34(39)40/h30-31H,2-29,35H2,1H3,(H,39,40)
InChIKeyQXFDURCWOHDZTF-UHFFFAOYSA-N
MW564.90 g/mol
LogP8.94
Rot. Bonds29

About 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid

2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid (PubChem CID 90369111) has the molecular formula C34H64N2O4 and a molecular weight of 564.90 g/mol. Its IUPAC name is 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid
PubChem CID90369111
Molecular FormulaC34H64N2O4
Molecular Weight564.90 g/mol
Exact Mass564.49
IUPAC Name2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCCCC(N)C(=O)O)C1=O
InChIInChI=1S/C34H64N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-29-32(37)36(33(30)38)28-25-24-27-31(35)34(39)40/h30-31H,2-29,35H2,1H3,(H,39,40)
InChIKeyQXFDURCWOHDZTF-UHFFFAOYSA-N
XLogP8.94
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.90
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-oxo-4-tridecylcyclobutyl)hexanoic acid
CID 174875035
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
1-[2-[2-[2-[2-(3-dotetracontyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
CID 101132594
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracontylpyrrolidine-2,5-dione
CID 90684404
1-[2-[2-[2-[2-(2,5-dioxo-3-tetracontylpyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-octatriacontylpyrrolidine-2,5-dione
CID 101132520
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
2-decylcyclohexan-1-one;2,6-diaminohexanoic acid
CID 66768529
N-[4-(2,5-dioxo-3-pentylpyrrolidin-1-yl)butyl]-2,2-dimethylpropanethioamide
CID 155383633
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid (CID 90369111) is 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCC1CC(=O)N(CCCCC(N)C(=O)O)C1=O.
What is the InChIKey of 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid?
The InChIKey is QXFDURCWOHDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-29-32(37)36(33(30)38)28-25-24-27-31(35)34(39)40/h30-31H,2-29,35H2,1H3,(H,39,40).
What are the key properties of 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid?
2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid has a molecular weight of 564.90 g/mol, XLogP of 8.94, 29 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dioxo-3-tetracosylpyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 90369111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).