6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid

C13H22N2O4 — CID 65289759

IUPAC6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid
SMILESCCN1C(=O)CC(NCCC(C)CCC(=O)O)C1=O
InChIInChI=1S/C13H22N2O4/c1-3-15-11(16)8-10(13(15)19)14-7-6-9(2)4-5-12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyPKNIFTDSRVYNAX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.61
Rot. Bonds8

About 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid

6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid (PubChem CID 65289759) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid
PubChem CID65289759
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid
SMILESCCN1C(=O)CC(NCCC(C)CCC(=O)O)C1=O
InChIInChI=1S/C13H22N2O4/c1-3-15-11(16)8-10(13(15)19)14-7-6-9(2)4-5-12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyPKNIFTDSRVYNAX-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188044
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
3-(2,2-dimethylpropylamino)-1-ethylpyrrolidine-2,5-dione
CID 61168805
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
6-[(3,5-dimethylcyclohexyl)amino]-4-methylhexanoic acid
CID 65289656
N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide
CID 61015280
1-ethyl-3-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyrrolidine-2,5-dione
CID 60934113
3-[3-(cyclopropylmethoxy)propylamino]-1-ethylpyrrolidine-2,5-dione
CID 114097733
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 113409809
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-(2-but-3-enoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 106397852
1-ethyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
CID 43636150

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid (CID 65289759) is 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid is CCN1C(=O)CC(NCCC(C)CCC(=O)O)C1=O.
What is the InChIKey of 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid?
The InChIKey is PKNIFTDSRVYNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-15-11(16)8-10(13(15)19)14-7-6-9(2)4-5-12(17)18/h9-10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid?
6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 65289759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).