1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid

C12H16N2O5 — CID 81164798

IUPAC1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H16N2O5/c15-8(13-12(11(18)19)5-1-6-12)4-7-14-9(16)2-3-10(14)17/h1-7H2,(H,13,15)(H,18,19)
InChIKeyXVWPEAVGHHTQBZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.35
Rot. Bonds5

About 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid

1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81164798) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
PubChem CID81164798
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
SMILESO=C(CCN1C(=O)CCC1=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H16N2O5/c15-8(13-12(11(18)19)5-1-6-12)4-7-14-9(16)2-3-10(14)17/h1-7H2,(H,13,15)(H,18,19)
InChIKeyXVWPEAVGHHTQBZ-UHFFFAOYSA-N
XLogP-0.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.35
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

4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
CID 79845575
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954131
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
CID 97244449
1-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 56809721
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43169373
1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
CID 115910174
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid (CID 81164798) is 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid is O=C(CCN1C(=O)CCC1=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is XVWPEAVGHHTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-8(13-12(11(18)19)5-1-6-12)4-7-14-9(16)2-3-10(14)17/h1-7H2,(H,13,15)(H,18,19).
What are the key properties of 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid?
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).