4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

C17H22N4O5 — CID 122002067

IUPAC4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C17H22N4O5/c22-14-11-19-17(26)21(14)9-8-18-16(25)20-13(6-7-15(23)24)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,26)(H,23,24)(H2,18,20,25)
InChIKeyNEPHMCHIJXWSCH-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.31
Rot. Bonds9

About 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122002067) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122002067
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C17H22N4O5/c22-14-11-19-17(26)21(14)9-8-18-16(25)20-13(6-7-15(23)24)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,26)(H,23,24)(H2,18,20,25)
InChIKeyNEPHMCHIJXWSCH-UHFFFAOYSA-N
XLogP0.31
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122027923
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (CID 122002067) is 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCCN1C(=O)CNC1=O.
What is the InChIKey of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is NEPHMCHIJXWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c22-14-11-19-17(26)21(14)9-8-18-16(25)20-13(6-7-15(23)24)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,26)(H,23,24)(H2,18,20,25).
What are the key properties of 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 362.39 g/mol, XLogP of 0.31, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122002067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).