(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate

C24H41NO5 — CID 87985069

IUPAC(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate
SMILESCCCC[C@@H](O)/C=C\CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO5/c1-2-3-16-21(26)17-14-12-10-8-6-4-5-7-9-11-13-15-18-24(29)30-25-22(27)19-20-23(25)28/h14,17,21,26H,2-13,15-16,18-20H2,1H3/b17-14-/t21-/m1/s1
InChIKeyNJMNUYLVSNAMAF-RUDRXDDOSA-N
MW423.59 g/mol
LogP5.38
Rot. Bonds18

About (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate

(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate (PubChem CID 87985069) has the molecular formula C24H41NO5 and a molecular weight of 423.59 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate
PubChem CID87985069
Molecular FormulaC24H41NO5
Molecular Weight423.59 g/mol
Exact Mass423.30
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate
SMILESCCCC[C@@H](O)/C=C\CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO5/c1-2-3-16-21(26)17-14-12-10-8-6-4-5-7-9-11-13-15-18-24(29)30-25-22(27)19-20-23(25)28/h14,17,21,26H,2-13,15-16,18-20H2,1H3/b17-14-/t21-/m1/s1
InChIKeyNJMNUYLVSNAMAF-RUDRXDDOSA-N
XLogP5.38
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
methyl (5Z,14Z,16R)-16-hydroxyicosa-5,14-dienoate
CID 59063224
(2,5-dioxopyrrolidin-1-yl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 154013354
methyl (Z,16R)-16-hydroxyicos-14-en-5-ynoate
CID 59098327
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
CID 144956392
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
2-hydroxyethyl (E)-9-hydroxyoctadec-10-enoate
CID 89085788
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
ethyl 16-hydroxynonadec-14-enoate
CID 86215773
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate (CID 87985069) is (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate is CCCC[C@@H](O)/C=C\CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate?
The InChIKey is NJMNUYLVSNAMAF-RUDRXDDOSA-N. The full InChI is InChI=1S/C24H41NO5/c1-2-3-16-21(26)17-14-12-10-8-6-4-5-7-9-11-13-15-18-24(29)30-25-22(27)19-20-23(25)28/h14,17,21,26H,2-13,15-16,18-20H2,1H3/b17-14-/t21-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate?
(2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate has a molecular weight of 423.59 g/mol, XLogP of 5.38, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (Z,16R)-16-hydroxyicos-14-enoate is sourced from PubChem (CID 87985069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).