4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

C14H19N3O3 — CID 117444266

IUPAC4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccccc2C(N)CCC(=O)O)C1=O
InChIInChI=1S/C14H19N3O3/c1-16-8-9-17(14(16)20)12-5-3-2-4-10(12)11(15)6-7-13(18)19/h2-5,11H,6-9,15H2,1H3,(H,18,19)
InChIKeyYZZLWDMDLIRUMG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid

4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (PubChem CID 117444266) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
PubChem CID117444266
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
SMILESCN1CCN(c2ccccc2C(N)CCC(=O)O)C1=O
InChIInChI=1S/C14H19N3O3/c1-16-8-9-17(14(16)20)12-5-3-2-4-10(12)11(15)6-7-13(18)19/h2-5,11H,6-9,15H2,1H3,(H,18,19)
InChIKeyYZZLWDMDLIRUMG-UHFFFAOYSA-N
XLogP1.42
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-[2-(4-methyl-3,5-dioxopiperazin-1-yl)phenyl]butanoic acid
CID 117490624
methyl 2-hydroxy-2-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]acetate
CID 117414842
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117410285
(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
CID 67452418
1-[2-(1-amino-2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412521
1-[2-(3-aminopropanoyl)phenyl]-3-methylimidazolidin-2-one
CID 117370660
1-[2-[1-hydroxy-2-(methylamino)ethyl]phenyl]-3-methylimidazolidin-2-one
CID 117376617
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
4-amino-4-(1-methyl-2-oxo-3H-indol-7-yl)butanoic acid
CID 117373605
1-[2-(2-aminoethyl)phenyl]-3-methylimidazolidin-2-one
CID 83822158
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The IUPAC name of 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid (CID 117444266) is 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is CN1CCN(c2ccccc2C(N)CCC(=O)O)C1=O.
What is the InChIKey of 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
The InChIKey is YZZLWDMDLIRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-8-9-17(14(16)20)12-5-3-2-4-10(12)11(15)6-7-13(18)19/h2-5,11H,6-9,15H2,1H3,(H,18,19).
What are the key properties of 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid?
4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 117444266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).