1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid

C17H22N2O3 — CID 117487167

IUPAC1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)N1CCN(c2cccc(C3(C(=O)O)CCC3)c2)C1=O
InChIInChI=1S/C17H22N2O3/c1-12(2)18-9-10-19(16(18)22)14-6-3-5-13(11-14)17(15(20)21)7-4-8-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21)
InChIKeyKVVPBJSRIXRJRJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.84
Rot. Bonds4

About 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid

1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117487167) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117487167
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCC(C)N1CCN(c2cccc(C3(C(=O)O)CCC3)c2)C1=O
InChIInChI=1S/C17H22N2O3/c1-12(2)18-9-10-19(16(18)22)14-6-3-5-13(11-14)17(15(20)21)7-4-8-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21)
InChIKeyKVVPBJSRIXRJRJ-UHFFFAOYSA-N
XLogP2.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-oxopiperazin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117438285
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
1-[3-(3-oxopyrazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117404697
1-[3-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117461852
4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
CID 117469221
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117399453
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(3-oxo-2-propan-2-yl-1H-isoindol-5-yl)cyclohexane-1-carboxylic acid
CID 117485619
1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
CID 117436394
1-[3-(2-methylimidazol-1-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117457949

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117487167) is 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid is CC(C)N1CCN(c2cccc(C3(C(=O)O)CCC3)c2)C1=O.
What is the InChIKey of 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is KVVPBJSRIXRJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)18-9-10-19(16(18)22)14-6-3-5-13(11-14)17(15(20)21)7-4-8-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117487167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).