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

C13H17N3O3 — CID 117412461

IUPAC3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCN1CCN(c2cccc(C(N)CC(=O)O)c2)C1=O
InChIInChI=1S/C13H17N3O3/c1-15-5-6-16(13(15)19)10-4-2-3-9(7-10)11(14)8-12(17)18/h2-4,7,11H,5-6,8,14H2,1H3,(H,17,18)
InChIKeyIESBUWQXLRXVLZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.03
Rot. Bonds4

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

3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid (PubChem CID 117412461) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
PubChem CID117412461
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
SMILESCN1CCN(c2cccc(C(N)CC(=O)O)c2)C1=O
InChIInChI=1S/C13H17N3O3/c1-15-5-6-16(13(15)19)10-4-2-3-9(7-10)11(14)8-12(17)18/h2-4,7,11H,5-6,8,14H2,1H3,(H,17,18)
InChIKeyIESBUWQXLRXVLZ-UHFFFAOYSA-N
XLogP1.03
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
CID 126760369
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]-3-methylimidazolidin-2-one
CID 117431163
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117444266
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid
CID 53417363
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
1-[3-[(1S)-1-amino-2-carboxyethyl]phenyl]-6-(trifluoromethoxy)indole-2-carboxylic acid
CID 170751205

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid (CID 117412461) is 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid is CN1CCN(c2cccc(C(N)CC(=O)O)c2)C1=O.
What is the InChIKey of 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is IESBUWQXLRXVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-5-6-16(13(15)19)10-4-2-3-9(7-10)11(14)8-12(17)18/h2-4,7,11H,5-6,8,14H2,1H3,(H,17,18).
What are the key properties of 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid?
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 117412461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).