2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid

C13H18N2O5 — CID 79845575

IUPAC2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCN2C(=O)CCC2=O)CCC1
InChIInChI=1S/C13H18N2O5/c16-9(4-7-15-10(17)2-3-11(15)18)14-13(5-1-6-13)8-12(19)20/h1-8H2,(H,14,16)(H,19,20)
InChIKeyGMXBXFMKZIXKOK-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.04
Rot. Bonds6

About 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid

2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid (PubChem CID 79845575) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
PubChem CID79845575
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCN2C(=O)CCC2=O)CCC1
InChIInChI=1S/C13H18N2O5/c16-9(4-7-15-10(17)2-3-11(15)18)14-13(5-1-6-13)8-12(19)20/h1-8H2,(H,14,16)(H,19,20)
InChIKeyGMXBXFMKZIXKOK-UHFFFAOYSA-N
XLogP0.04
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.04
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-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164798
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954131
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(3-ethylsulfanylpropanoylamino)cyclobutyl]acetic acid
CID 115730896
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119565152
2-[1-[(2,7-dioxoazepan-1-yl)methyl]cyclobutyl]acetic acid
CID 81164891
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid (CID 79845575) is 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCN2C(=O)CCC2=O)CCC1.
What is the InChIKey of 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid?
The InChIKey is GMXBXFMKZIXKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-9(4-7-15-10(17)2-3-11(15)18)14-13(5-1-6-13)8-12(19)20/h1-8H2,(H,14,16)(H,19,20).
What are the key properties of 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid?
2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).