(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate

C19H32N2O5 — CID 154312556

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
SMILESCCCCCCCCCCCC(=O)C(CN)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)15(14-20)19(25)26-21-17(23)12-13-18(21)24/h15H,2-14,20H2,1H3
InChIKeyRSULKLJGXVGLGU-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.66
Rot. Bonds14

About (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate

(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate (PubChem CID 154312556) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
PubChem CID154312556
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
SMILESCCCCCCCCCCCC(=O)C(CN)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)15(14-20)19(25)26-21-17(23)12-13-18(21)24/h15H,2-14,20H2,1H3
InChIKeyRSULKLJGXVGLGU-UHFFFAOYSA-N
XLogP2.66
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(2-aminoethyl)-3-oxoicosanoate
CID 87093708
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 2-(4-aminophenyl)-3-oxodecanoate
CID 87186199
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-hexyl-3-oxodecanoyl)amino]-3-phenylpropanoate
CID 21309939
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
CID 72989073
(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
CID 134214303
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate (CID 154312556) is (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate is CCCCCCCCCCCC(=O)C(CN)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate?
The InChIKey is RSULKLJGXVGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)15(14-20)19(25)26-21-17(23)12-13-18(21)24/h15H,2-14,20H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate has a molecular weight of 368.47 g/mol, XLogP of 2.66, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate is sourced from PubChem (CID 154312556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).