3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid

C18H24N4O4 — CID 67579037

IUPAC3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid
SMILESNC(=O)C1CN(c2ccc(CCC(=O)O)cc2)C(=O)N1C1CCNCC1
InChIInChI=1S/C18H24N4O4/c19-17(25)15-11-21(18(26)22(15)14-7-9-20-10-8-14)13-4-1-12(2-5-13)3-6-16(23)24/h1-2,4-5,14-15,20H,3,6-11H2,(H2,19,25)(H,23,24)
InChIKeyZFEJDBZMFMCWSQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.55
Rot. Bonds6

About 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid

3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid (PubChem CID 67579037) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid
PubChem CID67579037
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid
SMILESNC(=O)C1CN(c2ccc(CCC(=O)O)cc2)C(=O)N1C1CCNCC1
InChIInChI=1S/C18H24N4O4/c19-17(25)15-11-21(18(26)22(15)14-7-9-20-10-8-14)13-4-1-12(2-5-13)3-6-16(23)24/h1-2,4-5,14-15,20H,3,6-11H2,(H2,19,25)(H,23,24)
InChIKeyZFEJDBZMFMCWSQ-UHFFFAOYSA-N
XLogP0.55
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-carbamoyl-2-oxopyrrolidin-1-yl)phenyl]propanoic acid
CID 168698330
3-[4-[2,4-dioxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70078685
3-[4-[1-(4-carbamimidoylphenyl)-2-oxoimidazolidin-4-yl]phenyl]propanoic acid
CID 22098882
3-[4-[3-(4-bromophenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid
CID 70078117
3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 74004623
ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate
CID 21480742
3-[4-[5-methyl-3-oxo-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid
CID 22075308
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid;dihydrochloride
CID 19602805
2-[4-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)phenyl]acetic acid
CID 155089818
2-[4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]phenyl]acetic acid
CID 154967241
3-[4-[5-methyl-3-oxo-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 22075307

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid (CID 67579037) is 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid is NC(=O)C1CN(c2ccc(CCC(=O)O)cc2)C(=O)N1C1CCNCC1.
What is the InChIKey of 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is ZFEJDBZMFMCWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c19-17(25)15-11-21(18(26)22(15)14-7-9-20-10-8-14)13-4-1-12(2-5-13)3-6-16(23)24/h1-2,4-5,14-15,20H,3,6-11H2,(H2,19,25)(H,23,24).
What are the key properties of 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid?
3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 360.41 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 67579037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).