6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid

C12H20N2O4 — CID 65287371

IUPAC6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC1CC(=O)NC1=O)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2,4-3-10(16)17)5-6-13-8-7-9(15)14-11(8)18/h8,13H,3-7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyTXKVDXYZSKKOBE-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.27
Rot. Bonds7

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

6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65287371) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid
PubChem CID65287371
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC1CC(=O)NC1=O)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-12(2,4-3-10(16)17)5-6-13-8-7-9(15)14-11(8)18/h8,13H,3-7H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyTXKVDXYZSKKOBE-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrrolidine-2,5-dione
CID 106146606
3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166040
3-(2-methylsulfanylethylamino)pyrrolidine-2,5-dione
CID 63966409
3-[(2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanamide
CID 106096164
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
CID 107317317
3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83141889
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
6-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-4,4-dimethylhexanoic acid
CID 65289067
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid (CID 65287371) is 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC1CC(=O)NC1=O)CCC(=O)O.
What is the InChIKey of 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is TXKVDXYZSKKOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,4-3-10(16)17)5-6-13-8-7-9(15)14-11(8)18/h8,13H,3-7H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid?
6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dioxopyrrolidin-3-yl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).