1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid

C22H41NO5 — CID 175876863

IUPAC1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C18H36O2.C4H5NO3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;6-3-1-2-4(7)5(3)8/h17H,3-16H2,1-2H3,(H,19,20);8H,1-2H2
InChIKeySJDFLTOMQWOJHL-UHFFFAOYSA-N
MW399.57 g/mol
LogP5.71
Rot. Bonds15

About 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid

1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid (PubChem CID 175876863) has the molecular formula C22H41NO5 and a molecular weight of 399.57 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
PubChem CID175876863
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC Name1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C18H36O2.C4H5NO3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;6-3-1-2-4(7)5(3)8/h17H,3-16H2,1-2H3,(H,19,20);8H,1-2H2
InChIKeySJDFLTOMQWOJHL-UHFFFAOYSA-N
XLogP5.71
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
16-methylheptadecanoic acid
CID 87200881
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66780304
6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
4-bromobutanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 23440073
methoxymethane;16-methylheptadecanoic acid
CID 175921970

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid (CID 175876863) is 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid is CC(C)CCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid?
The InChIKey is SJDFLTOMQWOJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C4H5NO3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;6-3-1-2-4(7)5(3)8/h17H,3-16H2,1-2H3,(H,19,20);8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid?
1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid has a molecular weight of 399.57 g/mol, XLogP of 5.71, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid is sourced from PubChem (CID 175876863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).