4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid

C10H10N2O3 — CID 131480890

IUPAC4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
SMILESO=C1NC[C@H](c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C10H10N2O3/c13-9(14)7-3-1-6(2-4-7)8-5-11-10(15)12-8/h1-4,8H,5H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1
InChIKeyXOUGNMNYAGLTOF-MRVPVSSYSA-N
MW206.20 g/mol
LogP0.74
Rot. Bonds2

About 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid

4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid (PubChem CID 131480890) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
PubChem CID131480890
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
SMILESO=C1NC[C@H](c2ccc(C(=O)O)cc2)N1
InChIInChI=1S/C10H10N2O3/c13-9(14)7-3-1-6(2-4-7)8-5-11-10(15)12-8/h1-4,8H,5H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1
InChIKeyXOUGNMNYAGLTOF-MRVPVSSYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
4-(5-oxopiperazin-2-yl)benzoic acid
CID 139913294
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
methyl 4-(2-oxo-1,3-diazinan-4-yl)benzoate
CID 138974808
4-[4-(5-cyclopropylthiophen-2-yl)phenyl]imidazolidin-2-one
CID 156902171
(4R)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazolidin-2-one
CID 171252567
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
CID 130976022
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
terephthalic acid;dihydrofluoride
CID 70485309

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid?
The IUPAC name of 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid (CID 131480890) is 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid?
The canonical SMILES for 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid is O=C1NC[C@H](c2ccc(C(=O)O)cc2)N1.
What is the InChIKey of 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid?
The InChIKey is XOUGNMNYAGLTOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9(14)7-3-1-6(2-4-7)8-5-11-10(15)12-8/h1-4,8H,5H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1.
What are the key properties of 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid?
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid is sourced from PubChem (CID 131480890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).