2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid

C17H19N3O5 — CID 120522038

IUPAC2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
SMILESCC1(c2cccc(C(=O)NC3(CC(=O)O)CCC3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O5/c1-16(14(24)18-15(25)20-16)11-5-2-4-10(8-11)13(23)19-17(6-3-7-17)9-12(21)22/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,21,22)(H2,18,20,24,25)
InChIKeyIXZKRPVSQWPYJH-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.87
Rot. Bonds5

About 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid (PubChem CID 120522038) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
PubChem CID120522038
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
SMILESCC1(c2cccc(C(=O)NC3(CC(=O)O)CCC3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H19N3O5/c1-16(14(24)18-15(25)20-16)11-5-2-4-10(8-11)13(23)19-17(6-3-7-17)9-12(21)22/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,21,22)(H2,18,20,24,25)
InChIKeyIXZKRPVSQWPYJH-UHFFFAOYSA-N
XLogP0.87
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]thiane-4-carboxylic acid
CID 120531218
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]butanoic acid
CID 120513436
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120532567
N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
CID 128670770
7-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]heptanoic acid
CID 120524062
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
CID 120513707
2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120534660
(2S,3S)-3-methyl-2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120517428
2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79848221
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid (CID 120522038) is 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid is CC1(c2cccc(C(=O)NC3(CC(=O)O)CCC3)c2)NC(=O)NC1=O.
What is the InChIKey of 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is IXZKRPVSQWPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-16(14(24)18-15(25)20-16)11-5-2-4-10(8-11)13(23)19-17(6-3-7-17)9-12(21)22/h2,4-5,8H,3,6-7,9H2,1H3,(H,19,23)(H,21,22)(H2,18,20,24,25).
What are the key properties of 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 345.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120522038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).