(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate

C13H19N3O5 — CID 160509957

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
SMILESNC(=O)[C@@H]1CCCN1CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19N3O5/c14-13(20)9-3-1-7-15(9)8-2-4-12(19)21-16-10(17)5-6-11(16)18/h9H,1-8H2,(H2,14,20)/t9-/m0/s1
InChIKeyLRELVXJZEMTIDK-VIFPVBQESA-N
MW297.31 g/mol
LogP-0.68
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate (PubChem CID 160509957) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
PubChem CID160509957
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
SMILESNC(=O)[C@@H]1CCCN1CCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H19N3O5/c14-13(20)9-3-1-7-15(9)8-2-4-12(19)21-16-10(17)5-6-11(16)18/h9H,1-8H2,(H2,14,20)/t9-/m0/s1
InChIKeyLRELVXJZEMTIDK-VIFPVBQESA-N
XLogP-0.68
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
1-butylpyrrolidine-2-carboxamide
CID 19388617
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-thiolan-2-yl]iodanuidylbutanoate
CID 163605308
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate (CID 160509957) is (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate is NC(=O)[C@@H]1CCCN1CCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate?
The InChIKey is LRELVXJZEMTIDK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O5/c14-13(20)9-3-1-7-15(9)8-2-4-12(19)21-16-10(17)5-6-11(16)18/h9H,1-8H2,(H2,14,20)/t9-/m0/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate has a molecular weight of 297.31 g/mol, XLogP of -0.68, 6 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) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate is sourced from PubChem (CID 160509957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).