(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate

C16H21N3O6 — CID 134355891

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate
SMILESCCC(N)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H21N3O6/c1-4-16(17,18-10(20)5-6-11(18)21)9-15(2,3)14(24)25-19-12(22)7-8-13(19)23/h5-6H,4,7-9,17H2,1-3H3
InChIKeyYCLJHNSGVWZVBY-UHFFFAOYSA-N
MW351.36 g/mol
LogP-0.00
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate

(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate (PubChem CID 134355891) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate
PubChem CID134355891
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate
SMILESCCC(N)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H21N3O6/c1-4-16(17,18-10(20)5-6-11(18)21)9-15(2,3)14(24)25-19-12(22)7-8-13(19)23/h5-6H,4,7-9,17H2,1-3H3
InChIKeyYCLJHNSGVWZVBY-UHFFFAOYSA-N
XLogP-0.00
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate (CID 134355891) is (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate is CCC(N)(CC(C)(C)C(=O)ON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate?
The InChIKey is YCLJHNSGVWZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-4-16(17,18-10(20)5-6-11(18)21)9-15(2,3)14(24)25-19-12(22)7-8-13(19)23/h5-6H,4,7-9,17H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate?
(2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate has a molecular weight of 351.36 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-amino-4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylhexanoate is sourced from PubChem (CID 134355891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).