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

C16H19N3O5 — CID 120534660

IUPAC2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-3-5-11(13(21)22)17-12(20)9-6-4-7-10(8-9)16(2)14(23)18-15(24)19-16/h4,6-8,11H,3,5H2,1-2H3,(H,17,20)(H,21,22)(H2,18,19,23,24)
InChIKeyOJLCLNHLHWFKIB-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.72
Rot. Bonds6

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

2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid (PubChem CID 120534660) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
PubChem CID120534660
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1)C(=O)O
InChIInChI=1S/C16H19N3O5/c1-3-5-11(13(21)22)17-12(20)9-6-4-7-10(8-9)16(2)14(23)18-15(24)19-16/h4,6-8,11H,3,5H2,1-2H3,(H,17,20)(H,21,22)(H2,18,19,23,24)
InChIKeyOJLCLNHLHWFKIB-UHFFFAOYSA-N
XLogP0.72
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.72
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

(2S,3S)-3-methyl-2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120517428
3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120532567
(2S)-4-methyl-2-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 119360981
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[[3-(dimethylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120614981
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid (CID 120534660) is 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid is CCCC(NC(=O)c1cccc(C2(C)NC(=O)NC2=O)c1)C(=O)O.
What is the InChIKey of 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
The InChIKey is OJLCLNHLHWFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-5-11(13(21)22)17-12(20)9-6-4-7-10(8-9)16(2)14(23)18-15(24)19-16/h4,6-8,11H,3,5H2,1-2H3,(H,17,20)(H,21,22)(H2,18,19,23,24).
What are the key properties of 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid?
2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid has a molecular weight of 333.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120534660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).