3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid

C18H23N3O5 — CID 120532567

IUPAC3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C18H23N3O5/c1-4-18(5-2,10-13(22)23)20-14(24)11-7-6-8-12(9-11)17(3)15(25)19-16(26)21-17/h6-9H,4-5,10H2,1-3H3,(H,20,24)(H,22,23)(H2,19,21,25,26)
InChIKeyYAKDHVOMKGLDCK-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.50
Rot. Bonds7

About 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid

3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid (PubChem CID 120532567) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
PubChem CID120532567
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
SMILESCCC(CC)(CC(=O)O)NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C18H23N3O5/c1-4-18(5-2,10-13(22)23)20-14(24)11-7-6-8-12(9-11)17(3)15(25)19-16(26)21-17/h6-9H,4-5,10H2,1-3H3,(H,20,24)(H,22,23)(H2,19,21,25,26)
InChIKeyYAKDHVOMKGLDCK-UHFFFAOYSA-N
XLogP1.50
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]butanoic acid
CID 120513436
7-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]heptanoic acid
CID 120524062
2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 120522038
2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120534660
(2S,3S)-3-methyl-2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120517428
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
CID 120513707
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]thiane-4-carboxylic acid
CID 120531218
N-(1-methylcyclohex-3-en-1-yl)-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
CID 128670770
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 154850134
3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]-N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]benzamide
CID 97098942

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid (CID 120532567) is 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid is CCC(CC)(CC(=O)O)NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The InChIKey is YAKDHVOMKGLDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-18(5-2,10-13(22)23)20-14(24)11-7-6-8-12(9-11)17(3)15(25)19-16(26)21-17/h6-9H,4-5,10H2,1-3H3,(H,20,24)(H,22,23)(H2,19,21,25,26).
What are the key properties of 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid has a molecular weight of 361.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120532567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).