2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

C16H19N3O4 — CID 146135248

IUPAC2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(N2CCNC2=O)c1)C1CCC1
InChIInChI=1S/C16H19N3O4/c20-14(21)10-19(12-4-2-5-12)15(22)11-3-1-6-13(9-11)18-8-7-17-16(18)23/h1,3,6,9,12H,2,4-5,7-8,10H2,(H,17,23)(H,20,21)
InChIKeyZGYGRAMIHHAYRZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.30
Rot. Bonds5

About 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid

2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (PubChem CID 146135248) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
PubChem CID146135248
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(N2CCNC2=O)c1)C1CCC1
InChIInChI=1S/C16H19N3O4/c20-14(21)10-19(12-4-2-5-12)15(22)11-3-1-6-13(9-11)18-8-7-17-16(18)23/h1,3,6,9,12H,2,4-5,7-8,10H2,(H,17,23)(H,20,21)
InChIKeyZGYGRAMIHHAYRZ-UHFFFAOYSA-N
XLogP1.30
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
2-[cyclopropyl-[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 122067250
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119194616
[(1S,2S)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815046
[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815045
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid (CID 146135248) is 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is O=C(O)CN(C(=O)c1cccc(N2CCNC2=O)c1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
The InChIKey is ZGYGRAMIHHAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-14(21)10-19(12-4-2-5-12)15(22)11-3-1-6-13(9-11)18-8-7-17-16(18)23/h1,3,6,9,12H,2,4-5,7-8,10H2,(H,17,23)(H,20,21).
What are the key properties of 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid?
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 146135248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).