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

C10H13NO4 — CID 115027264

IUPAC2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C10H13NO4/c12-8-4-6(5-9(13)14)10(15)11(8)7-2-1-3-7/h6-7H,1-5H2,(H,13,14)
InChIKeyBPPRRQPVUAPCMI-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds3

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

2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid (PubChem CID 115027264) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid
PubChem CID115027264
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C10H13NO4/c12-8-4-6(5-9(13)14)10(15)11(8)7-2-1-3-7/h6-7H,1-5H2,(H,13,14)
InChIKeyBPPRRQPVUAPCMI-UHFFFAOYSA-N
XLogP0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 43638375
3-(benzylsulfanylmethyl)-1-[3-[3-(benzylsulfanylmethyl)-2,5-dioxopyrrolidin-1-yl]cyclohexyl]pyrrolidine-2,5-dione
CID 118894970
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)-prop-2-enylamino]acetic acid
CID 79270389
2-[1-(2,2-dihydroxyethyl)-2,5-dioxopiperidin-4-yl]acetic acid
CID 20673614
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid
CID 79788639
(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 101212712
2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
CID 115013531
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
CID 62695219
2-(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoic acid
CID 81222893
1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721248
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638689

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid (CID 115027264) is 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid is O=C(O)CC1CC(=O)N(C2CCC2)C1=O.
What is the InChIKey of 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The InChIKey is BPPRRQPVUAPCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8-4-6(5-9(13)14)10(15)11(8)7-2-1-3-7/h6-7H,1-5H2,(H,13,14).
What are the key properties of 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 115027264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).