2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid

C15H18N2O3 — CID 117438263

IUPAC2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(c2ccc(C3(CC(=O)O)CC3)cc2)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-8-9-17(14(16)20)12-4-2-11(3-5-12)15(6-7-15)10-13(18)19/h2-5H,6-10H2,1H3,(H,18,19)
InChIKeyNYNZWPSXSQAFFM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117438263) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117438263
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid
SMILESCN1CCN(c2ccc(C3(CC(=O)O)CC3)cc2)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-8-9-17(14(16)20)12-4-2-11(3-5-12)15(6-7-15)10-13(18)19/h2-5H,6-10H2,1H3,(H,18,19)
InChIKeyNYNZWPSXSQAFFM-UHFFFAOYSA-N
XLogP2.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117442596
4-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 82514270
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetic acid
CID 117466059
2-[1-[4-(3-oxopiperazin-1-yl)phenyl]cyclopropyl]acetic acid
CID 117438268
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
2-[1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetic acid
CID 117487334
2-[1-(4-aminophenyl)cyclopentyl]acetic acid
CID 21077926
2-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-(difluoromethylsulfanyl)phenyl]cyclopropyl]acetic acid
CID 117399175
2-[1-[4-(piperazin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117438634

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid (CID 117438263) is 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid is CN1CCN(c2ccc(C3(CC(=O)O)CC3)cc2)C1=O.
What is the InChIKey of 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is NYNZWPSXSQAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-8-9-17(14(16)20)12-4-2-11(3-5-12)15(6-7-15)10-13(18)19/h2-5H,6-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117438263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).